CAS 10406-24-3 Benzonitrile, 3-(aminomethyl)- (HCID 457594)

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Basic information

CAS: 10406-24-3
Standard SMILES: N#Cc1cccc(CN)c1
InChIKey: XFKPORAVEUOIRF-UHFFFAOYSA-N
Molecular formula: C8H8N2
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.06874826

Names & identifiers

Preferred name: Benzonitrile, 3-(aminomethyl)-
IUPAC: 3-(aminomethyl)benzonitrile
English name: 3-Cyanobenzylamine
Molecular formula: C8H8N2
Molecular weight: 132.16

Names & synonyms

10406-24-3Benzonitrile, 3-(aminomethyl)-DTXSID80146233RefChem:566210DTXCID10687243-(aminomethyl)benzonitrile3-CYANOBENZYLAMINE3-Aminomethyl-benzonitrileMFCD06797832m-Cyanobenzylamine3-(Aminomethyl)-benzonitrileSCHEMBL580840

Show more names

AKOS BB-9335α-AMino-M-tolunitrile1-AMinoMethyl-3-cyanobenzene

CHEMBL11781603-(aminomethyl)benzenecarbonitrile3-Aminomethylbenzonitrile3-(aminomethyl) benzonitrileSCHEMBL7053510SCHEMBL15251732SCHEMBL27518612SCHEMBL27984373

Database identifiers

CAS: 10406-24-3
PubChem CID: 457594
DTXSID: DTXSID80146233
ChEMBL: CHEMBL1178160
EC Number: 688-514-7
Nikkaji: J2.090.376G

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 102 · 102-103 °C
Boiling point: 115 °C · 115 °C(Press: 1 Torr)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: liquid
pka: 8.56 · 8.56±0.10(Predicted)
color: Colourless
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 310 · P310-P260-P280
RIDADR: 2735 · 2735
HazardClass: 8 · 8
PackingGroup: Ⅲ
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.