(3S)-(-)-3-아세트아미도피롤리딘

(S)-(-)-3-Acetamidopyrrolidine

HCID 7021471

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114636-31-6
표준 SMILES: CC(=O)N[C@H]1CCNC1
InChIKey: HDCCJUCOIKLZNM-LURJTMIESA-N
분자식: C6H12N2O
평균 분자량: 128.17 g/mol
단동위원소 질량: 128.09496301

이름 및 식별자

우선 이름: (S)-(-)-3-Acetamidopyrrolidine
IUPAC: N-[(3S)-pyrrolidin-3-yl]acetamide
현지명: (3S)-(-)-3-아세트아미도피롤리딘
영어명: (3S)-(-)-3-ACETAMIDOPYRROLIDINE
분자식: C6H12N2O
분자량: 128.17

이름 및 동의어

(S)-(-)-3-AcetamidopyrrolidineRefChem:407690N-(3S)-3-Pyrrolidinylacetamide631-217-4114636-31-6(3S)-(-)-3-Acetamidopyrrolidine(S)-N-(pyrrolidin-3-yl)acetamideN-[(3S)-pyrrolidin-3-yl]acetamideAcetamide, N-(3S)-3-pyrrolidinyl-(S)-3-AcetamidopyrrolidineMFCD00082748DTXSID60427370

이름 더 보기

(3S)-(-)-3-아세트아미도피롤리딘S-AAPCAS:114636-31-6(S)-3-Acetaminopyrrolidine(S)-3-ACETAMIDO-PYRROLIDINE(S)-3-ACETYLAMINO PYRROLIDINE(3S)-(-)-3-AcetaminopyrrolidineN-[(3S)-3-Pyrrolidinyl]acetamide

(S)-N-pyrrolidin-3-yl-acetamide(S)-N-(pyrrolidin-3-yl) acetamideCS-W011129AS-35553N-(3-Pyrrolidinyl)acetamide #SCHEMBL39850(3S)-3-acetamidopyrrolidineSCHEMBL666297

데이터베이스 식별자

CAS: 114636-31-6
PubChem CID: 7021471
DTXSID: DTXSID60427370
EC Number: 631-217-4
Nikkaji: J254.873I

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 56 · 56-58°C
끓는 점: 70 · 70-72°C 40mm
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
굴절률: -48 ° · -48 ° (C=1, EtOH)
인화점: 70 · 70-72°C/40mm
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 15.94 · 15.94±0.20(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 4904139 · 4904139

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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.