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| CAS No.: | 5329-79-3 |
|---|---|
| Name: | 1-Methylpentylamine |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C6H15N |
| Molecular Weight: | 101.192 |
| Synonyms: | Pentylamine,1-methyl- (7CI,8CI);(?à)-2-Aminohexane;1-Methylpentylamine;2-Aminohexane;2-Hexylamine;NSC2601;dl-2-Aminohexane; |
| EINECS: | 226-220-9 |
| Density: | 0.768 g/cm3 |
| Melting Point: | -19°C |
| Boiling Point: | 116 °C at 760 mmHg |
| Flash Point: | 25.7 °C |
| PSA: | 26.02000 |
| LogP: | 2.22410 |
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- Total:21 Page 1 of 1 1
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Specification
The 1-Methylpentylamine, with the CAS registry number 5329-79-3 and EINECS registry number 226-220-9, has the systematic name and IUPAC name of hexan-2-amine. It should be stored in sealed containers. And the molecular formula of the chemical is C6H15N.
The characteristics of 1-Methylpentylamine are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -1.18; (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: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 33.34 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 13.21×10-24cm3; (17)Surface Tension: 26 dyne/cm; (18)Density: 0.768 g/cm3; (19)Flash Point: 25.7 °C; (20)Enthalpy of Vaporization: 35.44 kJ/mol; (21)Boiling Point: 116 °C at 760 mmHg; (22)Vapour Pressure: 18.6 mmHg at 25°C.
Uses of 1-Methylpentylamine: It can react with nitro-urea to produce N-(1-Methyl-pentyl)-harnstoff. This reaction will need reagent H2O. The reaction time is 1 hour with temperature of 70°C, and the yield is about 59%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NC(C)CCCC
(2)InChI: InChI=1/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3
(3)InChIKey: WGBBUURBHXLGFM-UHFFFAOYAF