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3201-30-7

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Basic Information
CAS No.: 3201-30-7
Name: 2-[(1,3-Benzodioxol-5-yl)methylamino]propionic acid
Molecular Structure:
Molecular Structure of 3201-30-7 (2-[(1,3-Benzodioxol-5-yl)methylamino]propionic acid)
Formula: C11H13 N O4
Molecular Weight: 223.229
Synonyms: ALANINE, N-PIPERONYL-;α-Methyl-N-piperonyl-glycin;
Density: 1.311g/cm3
Melting Point: 262-264 °C
Boiling Point: 383.4°C at 760 mmHg
Flash Point: 185.7°C
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 67.79000
LogP: 1.36890
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Chemistry

Product Name: N-Piperonylalanine (CAS NO.3201-30-7)


Molecular Formula: C11H13NO4
Molecular Weight: 223.25g/mol
Mol File: 3201-30-7.mol
Boiling point: 383.4 °C at 760 mmHg
Flash Point: 185.7 °C
Density: 1.311 g/cm3
Surface Tension: 56 dyne/cm
Enthalpy of Vaporization: 66.66 kJ/mol
Vapour Pressure: 1.46E-06 mmHg at 25°C
XLogP3-AA: -1
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of N-Piperonylalanine (CAS NO.3201-30-7):
  IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)propanoic acid
  Canonical SMILES: CC(C(=O)O)NCC1=CC2=C(C=C1)OCO2
  InChI: InChI=1S/C11H13NO4/c1-7(11(13)14)12-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7,12H,5-6H2,1H3,(H,13,14) 
  InChIKey: LMYHQSMZZIZIOM-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04489,

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.

Specification

 N-Piperonylalanine , its CAS NO. is 3201-30-7, the synonyms are BRN 1318649 ; Propionic acid, 2-(3,4-methylenedioxybenzylamino)- ; Alanine, N-piperonyl- .