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180001-34-7

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Basic Information
CAS No.: 180001-34-7
Name: 1400W
Article Data: 2
Molecular Structure:
Molecular Structure of 180001-34-7 (1400W)
Formula: C10H15N3
Molecular Weight: 177.249
Synonyms: 1400W;N-[3-(Aminomethyl)benzyl]acetamidine;W 1400;
Density: 1.09 g/cm3
Melting Point: 208-220 °C
Boiling Point: 329 °C at 760 mmHg
Flash Point: 152.7 °C
Solubility: Soluble to 100 mM in Water
Appearance: solid
Safety: 22-24/25
PSA: 61.90000
LogP: 2.42300
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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