CAS 93469-29-5 N-(3-aminophenyl)butanamide (HCID 721132)

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Basic information

CAS: 93469-29-5
Standard SMILES: CCCC(=O)Nc1cccc(N)c1
InChIKey: DRXFARCOYOPZDW-UHFFFAOYSA-N
Molecular formula: C10H14N2O
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.11061307

Names & identifiers

Preferred name: N-(3-aminophenyl)butanamide
IUPAC: N-(3-aminophenyl)butanamide
English name: N-(3-AMINOPHENYL)BUTANAMIDE
Molecular formula: C10H14N2O
Molecular weight: 178.23

Names & synonyms

N-(3-aminophenyl)butanamide93469-29-5DTXSID40352217RefChem:361233DTXCID20303282N-(3-Aminophenyl)butyramidebutanamide, n-(3-aminophenyl)-MFCD02063078m-butyrylaminoanilineTimTec1_000824ASISCHEM T31170AKOS BBB/525

Show more names

LABOTEST-BB LT00511962N-(3-aminophenyl)butanamide(SALTDATA: FREE)

Oprea1_229581Oprea1_295521SCHEMBL629093AKOS BB-8164DRXFARCOYOPZDW-UHFFFAOYSA-NHMS1536F10ALBB-012033UKRORGSYN-BB BBV-042991

Database identifiers

CAS: 93469-29-5
PubChem CID: 721132
DTXSID: DTXSID40352217
EC Number: 633-608-5

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 398 · 398.0±25.0 °C(Predicted)
Density: 1.129 · 1.129±0.06 g/cm3(Predicted)
pka: 14.82 · 14.82±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501