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N,1-dimethylpropylamine (7713-69-1)

Identification
Name:N,1-dimethylpropylamine
Synonyms:Propylamine,N,1-dimethyl- (7CI,8CI); 2-(Methylamino)butane; Methyl-sec-butylamine;N,1-Dimethylpropylamine; N-Methyl-2-butanamine; N-Methyl-2-butylamine;N-Methyl-N-sec-butylamine; N-Methyl-sec-butylamine; N-sec-Butyl-N-methylamine;sec-Butylmethylamine
CAS:7713-69-1
EINECS: 231-737-8
Molecular Formula: C5H13N
Molecular Weight: 87.16
InChI: InChI=1/C5H13N/c1-4-5(2)6-3/h5-6H,4H2,1-3H3
Molecular Structure: (C5H13N) Propylamine,N,1-dimethyl- (7CI,8CI); 2-(Methylamino)butane; Methyl-sec-butylamine;N,1-Dimethylpropyl...
Properties
Boiling Point: 78.5°C at 760 mmHg
Density:0.724g/cm3
Refractive index:1.393
Specification:

The N-Methyl-2-butylamine with cas registry number of 7713-69-1, has the systematic name of N-methylbutan-2-amine. And its IUPAC name is also N-methylbutan-2-amine.

Physical properties about this chemical are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.12; (4)ACD/LogD (pH 7.4): -1.99; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.393; (14)Molar Refractivity: 28.76 cm3; (15)Molar Volume: 120.2 cm3; (16)Polarizability: 11.4×10-24cm3; (17)Surface Tension: 20.6 dyne/cm; (18)Enthalpy of Vaporization: 31.94 kJ/mol; (19)Vapour Pressure: 92.6 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: N(C(C)CC)C;
(2)InChI: InChI=1/C5H13N/c1-4-5(2)6-3/h5-6H,4H2,1-3H3;
(3)InChIKey: PYFSCIWXNSXGNS-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C5H13N/c1-4-5(2)6-3/h5-6H,4H2,1-3H3;
(5)Std. InChIKey: PYFSCIWXNSXGNS-UHFFFAOYSA-N

Safety Data
 

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