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3182-77-2

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Basic Information
CAS No.: 3182-77-2
Name: ALLYLAMINO-ACETIC ACID HYDROCHLORIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 3182-77-2 (ALLYLAMINO-ACETIC ACID HYDROCHLORIDE)
Formula: C5H9NO2
Molecular Weight: 115.132
Synonyms: ALLYLAMINO-ACETIC ACID HYDROCHLORIDE;N-ALLYL GLYCINE HYDROCHLORIDE;N-(2-Propenyl)glycine;2-(allylamino)acetic acid;2-(prop-2-enylamino)acetic acid;2-(prop-2-enylamino)ethanoic acid;NSC 77695
EINECS: 221-672-3
Density: 1.05 g/cm3
Melting Point: 168-170℃
Boiling Point: 222.7 °C at 760 mmHg
Flash Point: 88.5 °C
Safety: 24/25
PSA: 49.33000
LogP: 1.03950
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Specification

The Glycine, N-2-propen-1-yl-, with the CAS registry number 3182-77-2, is also known as N-Allylglycine. Its EINECS number is 221-672-3. This chemical's molecular formula is C5H9NO2 and molecular weight is 151.13. What's more, its systematic name is N-Prop-2-en-1-ylglycine.

Physical properties of Glycine, N-2-propen-1-yl- are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 30.09 cm3; (15)Molar Volume: 109.6 cm3; (16)Polarizability: 11.93×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 88.5 °C; (20)Enthalpy of Vaporization: 50.58 kJ/mol; (21)Boiling Point: 222.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0372 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCNCC(=O)O
(2)InChI: InChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)
(3)InChIKey: YVWGGGZYGSZDKW-UHFFFAOYSA-N