(S)-피롤리딘-2-카르보니트릴염산염

(2S)-Pyrrolidine-2-carbonitrile hydrochloride

HCID 44593801

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 65732-69-6
표준 SMILES: Cl.N#C[C@@H]1CCCN1
InChIKey: QSJTUXCBPTVKQZ-JEDNCBNOSA-N
분자식: C5H9ClN2
평균 분자량: 132.59 g/mol
단동위원소 질량: 132.045426

이름 및 식별자

우선 이름: (2S)-Pyrrolidine-2-carbonitrile hydrochloride
IUPAC: (2S)-pyrrolidine-2-carbonitrile;hydrochloride
현지명: (S)-피롤리딘-2-카르보니트릴염산염
영어명: (S)-Pyrrolidine-2-carbonitrile hydrochloride
분자식: C5H8N2.ClH
분자량: 132.59

이름 및 동의어

(2S)-pyrrolidine-2-carbonitrile hydrochlorideRefChem:398728672-346-665732-69-6(S)-Pyrrolidine-2-carbonitrile hydrochloride(S)-2-Pyrrolidinecarbonitrile Hydrochloride(S)-2-cyanopyrrolidine hydrochlorideMFCD02683060(s)-2-cyanopyrrolidine hcl(s)-2-cyano-pyrrolidine hydrochloride(2S)-pyrrolidine-2-carbonitrile;hydrochloride(s)-2-pyrrolidinecarbonitrilehydrochloride

이름 더 보기

(S)-피롤리딘-2-카르보니트릴염산염(S)-2-PyrroLidinecarbonitriLVildagliptin Imp.Nvildagliptin Impurity N(S)-2-PYRROLIDINONITRILEHCL2-Cyanopyrrolidine hydrochlorideS-Pyrrolidine-2-carbonitrile HCl(S)-2-Pyrrolidinecarbonitrile HCl(2S)-pyrrolidine-2-carbonitrile, HCl

(S)-PYRROLIDINE-2-CARBONITRILE HCL2-Pyrrolidinecarbonitrile, monohydrochloride, (2S)-Vildagliptin Impurity 27(2s)-2-pyrrolidinecarbonitrile hydrochlorideSCHEMBL1188615DTXSID30659606SBB066756AKOS015849400

데이터베이스 식별자

CAS: 65732-69-6
PubChem CID: 44593801
DTXSID: DTXSID30659606
EC Number: 672-346-6

물성

구조 계산 물성

극성 표면적: 35.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 99

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H/t5-;/s3
InChIKey: QSJTUXCBPTVKQZ-USHJBNIQNA-N
SMILES: C([C@H]1NCCC1)#N.Cl |&1:1,r|

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (100%)；STOT SE 3 (66.7%)

안전 데이터

ridadr: 3439
HS 번호: 2933998090
risk_code: 20/21/22
safety_code: 22-36/37/39

화학 및 산업

응용 분야

용도(2S)-2-Pyrrolidinecarbonitrile is a reagent that promotes the prebiotic synthesis of 2-deoxy-D-ribose, which forms the backbone of the DNA. A pharmaceutical intermediate.