Basic information
- Name:
2-Pyrrolidinecarbonitrile,hydrochloride (1:1), (2S)-
- Superlist Name:
- (S)-Pyrrolidine-2-carbonitrile hydrochloride
- CAS No.:
65732-69-6
- Molecular Structure:
- Formula:
- C5H8N2.HCl
- Molecular Weight:
- 132.59
- Synonyms:
- 2-Pyrrolidinecarbonitrile,monohydrochloride, (2S)- (9CI);2-Pyrrolidinecarbonitrile, monohydrochloride,(S)-;(2S)-2-Pyrrolidinecarbonitrile hydrochloride;(S)-2-Cyanopyrrolidinehydrochloride;
- Boiling Point:
- 244.9 °C at 760 mmHg
- Flash Point:
- 101.9 °C
- Risk Codes:
- 20/21/22
- Safety Description:
- 22-36/37/39 Details
- Transport Information:
- UN 3459
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Specification
The systematic name of (S)-Pyrrolidine-2-carbonitrile hydrochloride is (2S)-pyrrolidine-2-carbonitrile hydrochloride. With the CAS registry number 65732-69-6, it is also named as 2-Pyrrolidinecarbonitrile, (2S)-, hydrochloride (1:1). The product's category is Pyrrole & Pyrrolidine & Pyrroline. In addition, its molecular formula is C5H8N2.HCl and molecular weight is 132.59.
The other characteristics of (S)-Pyrrolidine-2-carbonitrile hydrochloride can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 35.82 Å2; (6)Flash Point: 101.9 °C; (7)Enthalpy of Vaporization: 49.17 kJ/mol; (8)Boiling Point: 244.9 °C at 760 mmHg; (9)Vapour Pressure: 0.0237 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.N#C[C@@H]1CCCN1
(2)InChI: InChI=1/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H/t5-;/m0./s1
(3)InChIKey: QSJTUXCBPTVKQZ-JEDNCBNOBJ
(4)Std. InChI: InChI=1S/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H/t5-;/m0./s1
(5)Std. InChIKey: QSJTUXCBPTVKQZ-JEDNCBNOSA-N
