Benzoic acid,3-amino-5-[(methylamino)carbonyl]- supplier

Name
5-AMINO-N-METHYLISOPHTHALAMIC ACID
EINECS 217-787-3
CAS No. 1954-96-7
Density 1.343 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₃
Boiling Point 442.721 °C at 760 mmHg
Molecular Weight 194.19
Flash Point 221.55 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isophthalamicacid, 5-amino-N-methyl- (7CI,8CI);5-Amino-N-methylisophthalamic acid;
PSA 92.42000
LogP 1.29870

Benzoic acid,3-amino-5-[(methylamino)carbonyl]- Specification

The Benzoic acid,3-amino-5-[(methylamino)carbonyl]-, with the CAS registry number 1954-96-7, is also known as 5-Amino-N-methylisophthalamic acid. Its EINECS registry number is 217-787-3. This chemical's molecular formula is C₉H₁₀N₂O₃ and molecular weight is 194.1873. Its IUPAC name is called 3-amino-5-(methylcarbamoyl)benzoic acid.

Physical properties of Benzoic acid,3-amino-5-[(methylamino)carbonyl]-: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.624; (10)Molar Refractivity: 51.042 cm³; (11)Molar Volume: 144.59 cm³; (12)Surface Tension: 63.634 dyne/cm; (13)Density: 1.343 g/cm³; (14)Flash Point: 221.55 °C; (15)Enthalpy of Vaporization: 73.8 kJ/mol; (16)Boiling Point: 442.721 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC(=O)C1=CC(=CC(=C1)N)C(=O)O
(2)InChI: InChI=1S/C9H10N2O3/c1-11-8(12)5-2-6(9(13)14)4-7(10)3-5/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
(3)InChIKey: SIIWAVHOCVSSKA-UHFFFAOYSA-N

Product Name

5-AMINO-N-METHYLISOPHTHALAMIC ACID

Benzoic acid,3-amino-5-[(methylamino)carbonyl]- Specification

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