CAS No.183429-63-2,METHYL 1-AMINO-1-CYCLOHEPTANECARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	183429-63-2
Name:	METHYL 1-AMINO-1-CYCLOHEPTANECARBOXYLATE
Article Data:	3

Formula:	C₉H₁₇NO₂
Molecular Weight:	171.239
Synonyms:	Methyl 1-aminocycloheptanecarboxylate hydrochloride;
Density:	1.02 g/cm³
Boiling Point:	231.9 °C at 760 mmHg
Flash Point:	98.6 °C
PSA:	52.32000
LogP:	1.91140

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Specification

The CAS register number of Methyl 1-aminocycloheptanecarboxylate hydrochloride is 183429-63-2. It also can be called as Cycloheptanecarboxylicacid, 1-amino-, methyl ester and the IUPAC name about this chemical is methyl 1-aminocycloheptanecarboxylate. The molecular formula about this chemical is C₉H₁₇NO₂and molecular weight is 171.24. It belongs to the Pharmacetical.

Physical properties about Methyl 1-aminocycloheptanecarboxylate hydrochloride are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): -0.63; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.84; (6)ACD/KOC (pH 5.5): 1.12; (7)ACD/KOC (pH 7.4): 53.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.468; (13)Molar Refractivity: 46.69 cm³; (14)Molar Volume: 167.8 cm³; (15)Polarizability: 18.5x10^-24cm³; (16)Surface Tension: 36.4 dyne/cm; (17)Enthalpy of Vaporization: 46.86 kJ/mol; (18)Boiling Point: 231.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0607 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1(N)CCCCCC1
(2)InChI: InChI=1/C9H17NO2/c1-12-8(11)9(10)6-4-2-3-5-7-9/h2-7,10H2,1H3
(3)InChIKey: GPZHQNYVDQMZDP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H17NO2/c1-12-8(11)9(10)6-4-2-3-5-7-9/h2-7,10H2,1H3
(5)Std. InChIKey: GPZHQNYVDQMZDP-UHFFFAOYSA-N