CAS 6331-71-1 4-Amino-N,N-dimethylbenzamide (HCID 235527)

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Basic information

CAS: 6331-71-1
Standard SMILES: CN(C)C(=O)c1ccc(N)cc1
InChIKey: QEPGWLBMAAEBCP-UHFFFAOYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.094963

Names & identifiers

Preferred name: 4-Amino-N,N-dimethylbenzamide
IUPAC: 4-amino-N,N-dimethylbenzamide
English name: 4-Amino-N,N-dimethylbenzamide
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

4-Amino-N,N-dimethylbenzamideDTXSID50284378RefChem:518052DTXCID70235529676-807-26331-71-1Benzamide, 4-amino-N,N-dimethyl-MFCD005236484-Amino-N,N-DiMethyl-BenzamideN,N-Dimethyl 4-aminobenzamide(4-aminophenyl)-N,N-dimethylcarboxamideN,N-dimethyl-p-aminobenzamide

Show more names

BUTTPARK 14\02-70AKOS BBS-000046614-(DIMETHYLCARBAMYL)ANILINE4-(Dimethylcarbamoyl)aniline4-AMINOBENZOIC ACID DIMETHYLAMIDE

NSC37002Oprea1_566051p-amino-N,N-dimethylbenzamideSCHEMBL354426CHEMBL32783284-(N,N-dimethylcarbamoyl)aniline4-Amino-N,N-dimethylbenzamide #HMS1755F03

Database identifiers

CAS: 6331-71-1
PubChem CID: 235527
DTXSID: DTXSID50284378
ChEMBL: CHEMBL3278328
EC Number: 676-807-2
Nikkaji: J2.802.744C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 151 · 151-154°C
Boiling point: 348 · 348.0±25.0 °C(Predicted)
Density: 1.116 · 1.116±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.66 · 2.66±0.10(Predicted)
form: powder
color: Light grey
Water Solubility: Very soluble in water.
CAS DataBase Reference: 6331 · 6331-71-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.