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CAS 118628-68-5 (1R,2R)-(+)-N,N’-DIMETHYL-1,2-DIPHENYL-1,2-ETHANE DIAMINE molecular structure lightbox
CAS RN: 118628-68-5

(1R,2R)-(+)-N,N’-DIMETHYL-1,2-DIPHENYL-1,2-ETHANE DIAMINE

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251011 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251104 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251124 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250129 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260506 25g In stock Shanghai Inquiry
Batchno.20250920 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-018489
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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: 1g
  • Available purity: ≥95%
  • 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 118628-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

118628-68-5 / (1R,2R)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine

(1R,2R)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine | RefChem:393210 | 682-948-0

Standard CAS: 118628-68-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118628-68-5
Multi CAS
Yes
Molecular Formula
C16H20N2
Molecular Weight
240.340000
Exact Mass
240.162649
SMILES
CN[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)NC
InChI
InChI=1S/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m1/s1
InChIKey
BTHYVQUNQHWNLS-HZPDHXFCSA-N
Synonyms
(1R,2R)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine RefChem:393210 682-948-0 (1R,2R)-N1,N2-DiMethyl-1,2-diphenylethane-1,2-diaMine (1R,2R)-N,N'-Dimethyl-1,2-diphenyl-1,2-ethanediamine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.49
TPSA
24.06

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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