N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide supplier

Name
N-[4-(N-Cyano-N-nitrosoamino)-1-carbamoylbutyl]benzamide
EINECS
CAS No. 42242-72-8
Density 1.32g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅N₅O₃
Boiling Point °Cat760mmHg
Molecular Weight 289.33
Flash Point °C
Transport Information
Appearance
Safety Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NO_x. See also N-NITROSO COMPOUNDS.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoyl-L-arginineamide,nitrosated;4-Benzoylamido-4-carboxamido-N-nitroso-butylcyanamide;Bcnbc;
PSA 133.13000
LogP 2.23948

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Chemical Properties

Molecule structure of N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide (CAS NO.42242-72-8):

IUPAC Name: N-[1-Amino-5-[cyano(nitroso)amino]-1-oxopentan-2-yl]benzamide
Molecular Weight: 289.2899 g/mol
Molecular Formula: C₁₃H₁₅N₅O₃
Density: 1.32 g/cm³
Index of Refraction: 1.614
Molar Refractivity: 76.35 cm³
Molar Volume: 219 cm³
Polarizability: 30.27×10^-24 cm³
Surface Tension: 58.7 dyne/cm
XLogP3-AA: 0.9
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 289.117489
MonoIsotopic Mass: 289.117489
Topological Polar Surface Area: 129
Heavy Atom Count: 21
Complexity: 425
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN(C#N)N=O)C(=O)N
InChI: InChI=1S/C13H15N5O3/c14-9-18(17-21)8-4-7-11(12(15)19)16-13(20)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-8H2,(H2,15,19)(H,16,20)
InChIKey: YFSUFQYARIQEJJ-UHFFFAOYSA-N

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Toxicity Data With Reference

1.		mmo-sat 156 µmol/L		GANNA2 Gann. Japanese Journal of Cancer Research. 65 (1974),45.
2.		mmo-esc 50 nmol/plate		MUREAV Mutation Research. 49 (1978),9.

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Safety Profile

Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NO_x. See also N-NITROSO COMPOUNDS.

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Specification

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide (CAS NO.42242-72-8) is also named as 4-Benzoylamido-4-carboxamido-N-nitroso-butylcyanamide ; Bcnbc ; Benzoyl-L-arginineamide, nitrosated ; Cyanamide, N-(4-benzamido-4-carbamoylbutyl)-N-nitroso- ; N-(1-Aminocarbonyl-4-cyanonitrosaminobutyl)benzamide ; Benzamide, N-(1-carbamoyl-4-(nitrosocyanamido)butyl)- . N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide (CAS NO.42242-72-8) is toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.

Product Name

N-[4-(N-Cyano-N-nitrosoamino)-1-carbamoylbutyl]benzamide

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Chemical Properties

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Toxicity Data With Reference

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Safety Profile

N-(1-Carbamoyl-4-(nitrosocyanamido)butyl)benzamide Specification

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