Ethanimidamide,N-[[3-(aminomethyl)phenyl]methyl]- supplier

Name
1400W
EINECS
CAS No. 180001-34-7
Article Data2
CAS DataBase
Density 1.09 g/cm³
Solubility Soluble to 100 mM in Water
Melting Point 208-220 °C
Formula C₁₀H₁₅N₃
Boiling Point 329 °C at 760 mmHg
Molecular Weight 177.249
Flash Point 152.7 °C
Transport Information
Appearance solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1400W;N-[3-(Aminomethyl)benzyl]acetamidine;W 1400;
PSA 61.90000
LogP 2.42300

Ethanimidamide,N-[[3-(aminomethyl)phenyl]methyl]- Specification

The CAS registry number of Ethanimidamide,N-[[3-(aminomethyl)phenyl]methyl]- is 180001-34-7. This chemical is also named as N-[3-(Aminomethyl)benzyl]acetamidine. In addition, its molecular formula is C₁₀H₁₅N₃ and molecular weight is 177.2462. Its systematic name is called (1E)-N'-[3-(aminomethyl)benzyl]ethanimidamide.

Physical properties about Ethanimidamide,N-[[3-(aminomethyl)phenyl]methyl]- are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.92; (4)ACD/LogD (pH 7.4): -3.46; (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: 4; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 52.77 cm³; (14)Molar Volume: 162.4 cm³; (15)Surface Tension: 41.5 dyne/cm; (16)Density: 1.09 g/cm³; (17)Flash Point: 152.7 °C; (18)Enthalpy of Vaporization: 57.14 kJ/mol; (19)Boiling Point: 329 °C at 760 mmHg; (20)Vapour Pressure: 0.000183 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(=C(/N)C)\Cc1cccc(c1)CN
(2)InChI: InChI=1/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
(3)InChIKey: RODUKNYOEVZQPR-UHFFFAOYAS

Product Name

1400W

Ethanimidamide,N-[[3-(aminomethyl)phenyl]methyl]- Specification

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