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