2-(Methylamino)benzamide

HCID 101222

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Basic information

CAS: 7505-81-9
Standard SMILES: CNc1ccccc1C(N)=O
InChIKey: KTDNXQLRLSPQOK-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: 2-(Methylamino)benzamide
IUPAC: 2-(methylamino)benzamide
English name: 2-Methylaminobenzamide
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

2-(Methylamino)benzamide7505-81-9Benzamide, 2-(methylamino)-o-(Methylamino)benzamideBenzamide, o-(methylamino)-2-Methylamino-benzenecarboxamideBRN 2208134DTXSID70226018NSC 401247RefChem:84769DTXCID70148509Benzamide, 2-(methylamino)-(9CI)

Show more names

2-(methylamino)-benzamido-(methylamino)-benzamidBenzamide, 2-(methylamino)- (9CI)2-amino-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-thiazolone

674-129-14-14-00-01016 (Beilstein Handbook Reference)InChI=1/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11KTDNXQLRLSPQOK-UHFFFAOYSA-N2-MethylaminobenzamideMFCD000254692-carbamoyl-N-methylanilineOprea1_192072

Database identifiers

CAS: 7505-81-9
PubChem CID: 101222
DTXSID: DTXSID70226018
EC Number: 674-129-1
Nikkaji: J1.410.276K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 161 °C · 161 °C
Boiling point: 321.2 · 321.2±25.0 °C(Predicted)
Density: 1.177 · 1.177±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
pka: 15.82 · 15.82±0.50(Predicted)
form: Solid
color: Pale Orange
InChI: 1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKey: KTDNXQLRLSPQOK-UHFFFAOYSA-N
SMILES: CNc1ccccc1C(N)=O
CAS DataBase Reference: 7505 · 7505-81-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

wgk: WGK 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501