Benzenemethanamine, 4-amino-N,N-dimethyl-

HCID 308051CAS 6406-74-2

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)Cc1ccc(N)cc1
InChIKey: NNCCQALFJIMRKB-UHFFFAOYSA-N
Molecular formula: C9H14N2
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.11569845

Names & identifiers

Preferred name: Benzenemethanamine, 4-amino-N,N-dimethyl-
IUPAC: 4-[(dimethylamino)methyl]aniline
English name: 4-Amino-N,N-dimethylbenzylamine
Molecular formula: C9H14N2
Molecular weight: 150.22

Names & synonyms

4-Amino-N,N-dimethylbenzylaminep-AminobenzyldimethylamineBenzenemethanamine, 4-amino-N,N-dimethyl-4-((Dimethylamino)methyl)benzenamineDTXSID90884295RefChem:563278DTXCID001023746229-033-0EINECS 229-033-0NSC 2078086406-74-24-(dimethylaminomethyl)aniline

Show more names

4-AMINOBENZYL-N,N-DIMETHYLAMINEN,N-DiMethyl-4-aMinobenzylaMine4-[(Dimethylamino)methyl]benzenamine4-((dimmethylamino)methyl)benzenamine

4-((Dimethylamino)methyl)aniline4-[(dimethylamino)methyl]aniline4-dimethylaminomethyl-aniline4-(dimethylaminomethyl)phenylamineMFCD00035953NSC-2078084-Amino-N,N-dimethylbenzylamine; 4-[(N,N-Dimethylamino)methyl]aniline; N-(p-Aminobenzyl)dimethylamine; NSC 207808N-(4-aminobenzyl)-N,N-dimethylamine

Database identifiers

CAS: 6406-74-2
PubChem CID: 308051
DTXSID: DTXSID90884295
UNII: ELP6J7CU5V
EC Number: 229-033-0
Nikkaji: J81.215C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 231.8 · 231.8±15.0 °C(Predicted)
Density: 1.013 · 1.013±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.34 · 9.34±0.28(Predicted)
Appearance: Colorless to light yellow Solid-Liquid Mixture
FDA UNII: 6 J7CU5V · ELP6J7CU5V
EPA Substance Registry System: p-Aminobenzyldimethylamine (6406-74-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2921599090 · 2921599090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

tsca: TSCA listed
hs_code: 2921599090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 4-amino-N,N-dimethyl-: ACTIVE

Applications

Uses4-Amino-N,N-dimethylbenzylamine is a reagent in the reaction with methoxycarbonylphenyl isocyanate, in the synthesis of 4H-3,1-benzoxazin-4-ones as potent alternate substrate inhibitors of human leukocyte elastase.