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CAS 108-72-5 1,3,5-TRIAMINOBENZENE molecular structure lightbox
CAS RN: 108-72-5

1,3,5-TRIAMINOBENZENE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 100mg In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20250410 1g In stock Shanghai, Guangdong Inquiry
Batchno.20260403 250mg In stock Shanghai, Chongqing Inquiry
Batchno.20260509 500mg In stock Shanghai, Shandong Inquiry
Batchno.20250922 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS108-72-5
  • Purity/Analytical Methods: >99.0%
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108-72-5 / benzene-1,3,5-triamine

benzene-1,3,5-triamine | 1,3,5-Triaminobenzene | 1,3,5-Benzenetriamine

Standard CAS: 108-72-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108-72-5
Multi CAS
Yes
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
SMILES
C1=C(C=C(C=C1N)N)N
InChI
InChI=1S/C6H9N3/c7-4-1-5(8)3-6(9)2-4/h1-3H,7-9H2
InChIKey
RPHKINMPYFJSCF-UHFFFAOYSA-N
Synonyms
benzene-1,3,5-triamine 1,3,5-Triaminobenzene 1,3,5-Benzenetriamine sym-Triaminobenzene 279H5WFH84

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.68
TPSA
78.06

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
-0.1
Consensus LogP
0.23
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

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