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64046-99-7

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Basic Information
CAS No.: 64046-99-7
Name: p-[(1-Carbamoylpropyl)amino]phenylarsonic acid
Molecular Structure:
Molecular Structure of 64046-99-7 (p-[(1-Carbamoylpropyl)amino]phenylarsonic acid)
Formula: C10H15 As N2 O4
Molecular Weight: 302.19
Synonyms: n-Butarsamide;
Density: g/cm3
Boiling Point: 649.9°Cat760mmHg
Flash Point: 346.8°C
Safety: Poison by ingestion. See also ARSENIC COMPOUNDS. When heated to decomposition it emits very toxic fumes of As and NOx.
PSA: 113.64000
LogP: 0.14610
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Chemistry

Molecule structure of Arsanilic acid, N-(1-carbamoylpropyl)- (CAS NO.64046-99-7):

IUPAC Name: [4-[(1-Amino-1-oxobutan-2-yl)amino]phenyl]arsonic acid 
Molecular Weight: 302.1587 g/mol
Molecular Formula: C10H15AsN2O4 
Boiling Point: 649.9 °C at 760 mmHg
Flash Point: 346.8 °C
Enthalpy of Vaporization: 100.66 kJ/mol
Vapour Pressure: 8.91E-18 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 302.024778
MonoIsotopic Mass: 302.024778
Topological Polar Surface Area: 113
Heavy Atom Count: 17
Complexity: 309
Canonical SMILES: CCC(C(=O)N)NC1=CC=C(C=C1)[As](=O)(O)O
InChI: InChI=1S/C10H15AsN2O4/c1-2-9(10(12)14)13-8-5-3-7(4-6-8)11(15,16)17/h3-6,9,13H,2H2,1H3,(H2,12,14)(H2,15,16,17)
InChIKey of Arsanilic acid, N-(1-carbamoylpropyl)- (CAS NO.64046-99-7): YRDHRSYLZPYAMZ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rbt LDLo:50 mg/kg

     PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 29 (1931),125.
2.    

orl-gpg LDLo:100 mg/kg

     PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 29 (1931),125.

Consensus Reports

Arsenic and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by ingestion. See also ARSENIC COMPOUNDS. When heated to decomposition it emits very toxic fumes of As and NOx.

Standards and Recommendations

OSHA PEL: TWA 0.5 mg(As)/m3
ACGIH TLV: BEI: 35 µ (As)/L inorganic arsenic and methylated metabolites in urine

Specification

 Arsanilic acid, N-(1-carbamoylpropyl)- (CAS NO.64046-99-7) is also named as Phenyl-alpha-amino-n-butyramide-p-arsonic acid ; n-Butarsamide . Arsanilic acid, N-(1-carbamoylpropyl)- (CAS NO.64046-99-7) is highly toxic. It is flammable by fire, heat and oxidants. It will produce toxic nitrogen oxide, arsenic fumes by heat. So the storage environment should be ventilate, low-temperature and dry. Keep Arsanilic acid, N-(1-carbamoylpropyl)- (CAS NO.64046-99-7) separate from raw materials of food.