2-벤질피롤리딘

2-Benzylpyrrolidine

HCID 339556CAS 35840-91-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(CC2CCCN2)cc1
InChIKey: NKHMSOXIXROFRU-UHFFFAOYSA-N
분자식: C11H15N
평균 분자량: 161.24 g/mol
단동위원소 질량: 161.12044948

이름 및 식별자

우선 이름: 2-Benzylpyrrolidine
IUPAC: 2-benzylpyrrolidine
현지명: 2-벤질피롤리딘
영어명: 2-Benzylpyrrolidine
분자식: C11H15N
분자량: 161.24

이름 및 동의어

2-Benzylpyrrolidine35840-91-6RefChem:465723690-463-0PYRROLIDINE, 2-(PHENYLMETHYL)-MFCD016318392-benzyl-pyrrolidinerac-2-benzylpyrrolidinepyrrolidine, 2-benzyl-rac.-2-benzylpyrrolidineSCHEMBL52608(2RS)-2-benzyl-pyrrolidine

이름 더 보기

2-벤질피롤리딘(S)-2-Benzylpyrrolidine2-Benzylpyrrolidine 98%2-(Phenylmethyl)pyrrolidinealpha-(Pyrrolidin-2-yl)toluene[(Pyrrolidin-2-yl)methyl]benzene

SCHEMBL167190SCHEMBL1036252SCHEMBL6405531SCHEMBL6572638SCHEMBL27335607DTXSID30902624NKHMSOXIXROFRU-UHFFFAOYSA-NAR1052

데이터베이스 식별자

CAS: 35840-91-6
PubChem CID: 339556
DTXSID: DTXSID30902624
EC Number: 690-463-0
Nikkaji: J1.724.454J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 127

물리화학적 성질

끓는 점: 96 · 96-97 °C(Press: 2 Torr)
밀도: 0.988 · 0.988±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 1 · pK1: 10.31(+1) (25°C)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 2 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.