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CAS No.: | 18414-30-7 |
---|---|
Name: | CIS-2-AMINO-1-CYCLOPENTANECARBOXYLIC AC& |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H12ClNO2 |
Molecular Weight: | 165.62 |
Synonyms: | Cyclopentanecarboxylicacid, 2-amino-, hydrochloride, (1R,2S)-rel- (9CI);Cyclopentanecarboxylic acid,2-amino-, hydrochloride, cis- (8CI);cis-2-Amino-1-cyclopentanecarboxylic acidhydrochloride; |
Boiling Point: | 264.7 °C at 760 mmHg |
Flash Point: | 113.9 °C |
Appearance: | solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 63.32000 |
LogP: | 1.70070 |
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The cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride is an organic compound with the formula C6H12ClNO2. The systematic name of this chemical is (1R,2S)-2-aminocyclopentanecarboxylic acid hydrochloride. With the CAS registry number 18414-30-7, it is also named as cis-β-Cycloleucine hydrochloride. It is solid which should be kept away from oxidant and moisture. Additionally, this chemical must be sealed in the container which is filled with inert gas and stored in the cool and dry place.
The other characteristics of cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride can be summarized as: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.81; (4)ACD/LogD (pH 7.4): -2.81; (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: 2; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 113.9 °C ; (14)Enthalpy of Vaporization: 55.33 kJ/mol; (15)Boiling Point: 264.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00278 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H]1CCC[C@@H]1N.Cl
2. InChI:InChI=1/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5+;/m1./s1
3. InChIKey:LVBDVNLIEHCCTP-JBUOLDKXBJ
4. Std. InChI:InChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5+;/m1./s1
5. Std. InChIKey:LVBDVNLIEHCCTP-JBUOLDKXSA-N