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CAS No.: | 107017-72-1 |
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Name: | 1-AMINO-CYCLOPROPANEMETHANOL |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C4H9NO |
Molecular Weight: | 87.1216 |
Synonyms: | (1-Aminocyclopropyl)methanol;1-Amino-1-cyclopropanemethanol; |
EINECS: | 815-997-5 |
Density: | 1.12 g/cm3 |
Boiling Point: | 143.236 °C at 760 mmHg |
Flash Point: | 40.428 °C |
PSA: | 46.25000 |
LogP: | 0.17030 |
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The IUPAC name of 1-Aminocyclopropanemethanol is amino(cyclopropyl)methanol. With the CAS registry number 107017-72-1, it is also named as Cyclopropanemethanol,1-amino-. In addition, its molecular formula is C4H9NO and molecular weight is 87.12.
The other characteristics of 1-Aminocyclopropanemethanol can be summarized as: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.25 Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 23.522 cm3; (13)Molar Volume: 77.813 cm3; (14)Polarizability: 9.325×10-24cm3; (15)Surface Tension: 58.766 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 40.428 °C; (18)Enthalpy of Vaporization: 44.311 kJ/mol; (19)Boiling Point: 143.236 °C at 760 mmHg; (20)Vapour Pressure: 2.168 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: OCC1(N)CC1
(2)InChI: InChI=1/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2
(3)InChIKey: OBMKZINZPBARIK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2
(5)Std. InChIKey: OBMKZINZPBARIK-UHFFFAOYSA-N