2-Amino-N-isopropylbenzamide

HCID 94411

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Basic information

CAS: 30391-89-0
Standard SMILES: CC(C)NC(=O)c1ccccc1N
InChIKey: FWQYJOPJMIEKHZ-UHFFFAOYSA-N
Molecular formula: C10H14N2O
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.11061307

Names & identifiers

Preferred name: 2-Amino-N-isopropylbenzamide
IUPAC: 2-amino-N-propan-2-ylbenzamide
English name: Anthranilic acid isopropylamide
Molecular formula: C10H14N2O
Molecular weight: 178.23

Names & synonyms

2-amino-n-isopropylbenzamide30391-89-0Benzamide, 2-amino-N-(1-methylethyl)-N-IsopropylanthranilamideAnthranilic acid isopropylamide2-Amino-N-(1-methylethyl)benzamideDTXSID7041627UNII-P9B62A1RWF2-Amino-N-isopropyl benzamideP9B62A1RWF2-Amino-N-(isopropyl)benzamideEINECS 250-175-4

Show more names

AKOS BBB/073BUTTPARK 51\02-31Benzyl Benzoate Impurity 11N-Isopropyl-2-aminobenzamideBenzamide, o-amino-N-isopropyl-2-amino-N-propan-2-yl-benzamide

NSC 88050NSC-88050DTXCID5021627AMINO-N-ISOPROPYLBENZAMIDE, 2-RefChem:85353FWQYJOPJMIEKHZ-UHFFFAOYSA-N2-amino-N-(propan-2-yl)benzamide2-amino-N-propan-2-ylbenzamide

Database identifiers

CAS: 30391-89-0
PubChem CID: 94411
DTXSID: DTXSID7041627
ChEMBL: CHEMBL3186283
UNII: P9B62A1RWF
EC Number: 250-175-4
Nikkaji: J124.969J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

PesticidesPesticide degradation product

Collision Cross Section140.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7041627]

Physicochemical properties

Melting point: 147 °C · 147 °C
Boiling point: 355.7 · 355.7±25.0 °C(Predicted)
Density: 1.077 · 1.077±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 14.43 · 14.43±0.46(Predicted)
color: Off-White to Light Brown
BRN: 2804946 · 2804946
FDA UNII: 9 B62A1RWF · P9B62A1RWF
EPA Substance Registry System: 2 · Benzamide, 2-amino-N-(1-methylethyl)- (30391-89-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxicology

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 items

2-Amino-N-isopropylbenzamide

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Safety data

wgk: 3
tsca: TSCA listed
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, 2-amino-N-(1-methylethyl)-: ACTIVE

Applications

Uses2-Amino-N-isopropylbenzamide is a metabolite formed from Bentazon (B120580), a post-emergence, acidic herbicide used for selective control of broadleaf weeds and sedges in beans, rice, corn, peanuts and mint.