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CAS 102-06-7 1,3-Diphenylguanidine molecular structure lightbox
CAS RN: 102-06-7

1,3-Diphenylguanidine

Product Availability

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250516 100g In stock Inquiry
Batchno.20260514 1g In stock Inquiry
Batchno.20250416 2.5kg In stock Inquiry
Batchno.20250104 25g In stock Inquiry
Batchno.20251002 500g In stock Inquiry
Batchno.20250611 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260104 10g In stock Inquiry
Batchno.20250226 250g In stock Inquiry
Batchno.20250316 50g In stock Inquiry
  • Product code: SSC-003164
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 102-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Beijing Inquiry

102-06-7 / 1,2-diphenylguanidine

1,3-Diphenylguanidine | Diphenylguanidine | N,N'-DIPHENYLGUANIDINE

Standard CAS: 102-06-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
102-06-7
Multi CAS
Yes
Molecular Formula
C13H13N3
Molecular Weight
211.260000
Exact Mass
211.110947
SMILES
C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
InChI
InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
InChIKey
OWRCNXZUPFZXOS-UHFFFAOYSA-N
Synonyms
1,3-Diphenylguanidine Diphenylguanidine N,N'-DIPHENYLGUANIDINE Vulkazit Melaniline

Physical Properties

Melting Point
302 °F (NTP, 1992) 150 °C
Boiling Point
Decomposes >338 °F (NTP, 1992) 170 °C (decomposes)
Density
1.13 at 68 °F (NTP, 1992) - Denser than water; will sink 1.13 g/cu cm at 20 °C 1.19 g/cm³
Physical Description
1,3-diphenylguanidine is a white to cream-colored chalky powder. Bitter taste and slight odor. Other Solid; Dry Powder; Dry Powder, Pellets or Large Crystals; Pellets or Large Crystals Colorless or white solid; [ICSC] White powder; COLOURLESS OR WHITE CRYSTALLINE POWDER OR NEEDLES
Appearance
Monoclinic needles (crystalized from alcohol and toluene) White powder
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and protect it from moisture and oxidizers. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
67.79
TPSA
50.41

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361f ***: Suspected of damaging fertility [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P273, P391, and P501 P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P318, P319, P321, P330, P337+P317, P403+P233, P405, and P501 P203, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, P405, and P501

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