N1-Benzylbenzene-1,2-diamine

HCID 2735482

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5822-13-9
Standard SMILES: Nc1ccccc1NCc1ccccc1
InChIKey: ZOBQXWFQMOJTJF-UHFFFAOYSA-N
Molecular formula: C13H14N2
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.11569845

Names & identifiers

Preferred name: N1-Benzylbenzene-1,2-diamine
IUPAC: 2-N-benzylbenzene-1,2-diamine
English name: N-Benzyl-1,2-phenylenediamine
Molecular formula: C13H14N2
Molecular weight: 198.26

Names & synonyms

N1-Benzylbenzene-1,2-diamine5822-13-9DTXSID90370744RefChem:365100DTXCID10321778N-benzyl-benzene-1,2-diamine2-(Benzylamino)anilineN-Benzyl-1,2-diaminobenzeneN-Benzyl-1,2-phenylenediamine2-N-benzylbenzene-1,2-diamineN-benzylbenzene-1,2-diamineN-benzyl-o-phenylenediamine

Show more names

ZINC02243481N-Benzyl-2-aMino-anilineN1-benzylbenzene-1,3-diamine(2-aminophenyl)-(benzyl)amineN-(phenylmethyl)benzene-1,2-diamine

MFCD03094682N-Benzyl-1,2-benzenediamine(2-aminophenyl)benzylamine1,2-benzenediamine, N-(phenylmethyl)-, hydrochloride1,2-Benzenediamine, N-(phenylmethyl)-N-benzyl o-phenylenediamineSCHEMBL396451N1-Benzyl-1,2-benzenediamine

Database identifiers

CAS: 5822-13-9
PubChem CID: 2735482
DTXSID: DTXSID90370744
EC Number: 804-156-8
Nikkaji: J802.371I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 163 · 163-165℃ (toluene )
Boiling point: 154 °C · 154 °C(Press: 0.1 Torr)
Density: 1.153 · 1.153±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: crystalline solid
pka: 5.48 · 5.48±0.10(Predicted)
color: Black
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P271-P280
HS Code: 2921511990 · 2921511990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.