Name: S-2-Aminoheptanoic acid
SKU: 44902-02-5

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Basic Information

Molecular Structure:
CAS No.:	44902-02-5
Name:	S-2-Aminoheptanoic acid
Article Data:	17

Formula:	C₇H₁₅NO₂
Molecular Weight:	145.202
Synonyms:	Heptanoicacid, 2-amino-, (S)-;(S)-2-Aminoheptanoic acid;L-2-Aminoheptanoic acid;L-Homonorleucine;NSC 206253;
Density:	1.017 g/cm³
Boiling Point:	251 °C at 760 mmHg
Flash Point:	105.6 °C
PSA:	63.32000
LogP:	1.67890

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Specification

The Heptanoic acid,2-amino-, (2S)-, with the CAS registry number 44902-02-5, has the systematic name of (2S)-2-aminoheptanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₅NO₂.

The characteristics of Heptanoic acid,2-amino-, (2S)- are as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -1.05; (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: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 39.53 cm³; (15)Molar Volume: 142.7 cm³; (16)Polarizability: 15.67×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.017 g/cm³; (19)Flash Point: 105.6 °C; (20)Enthalpy of Vaporization: 53.76 kJ/mol; (21)Boiling Point: 251 °C at 760 mmHg; (22)Vapour Pressure: 0.00664 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CCCCC
(2)InChI: InChI=1/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
(3)InChIKey: RDFMDVXONNIGBC-LURJTMIEBD