(3R)-(+)-3-아세트아미도피롤리딘

(3R)-(+)-3-Acetamidopyrrolidine

HCID 7016129CAS 131900-62-4

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

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

이름 및 동의어

131900-62-4(3R)-(+)-3-AcetamidopyrrolidineDTXSID60426803RefChem:69240DTXCID90377637631-347-1HDCCJUCOIKLZNM-ZCFIWIBFSA-NN-[(3R)-pyrrolidin-3-yl]acetamide(R)-N-(pyrrolidin-3-yl)acetamideAcetamide, N-(3R)-3-pyrrolidinyl-(R)-3-AcetamidopyrrolidineMFCD00082729

이름 더 보기

(3R)-(+)-3-아세트아미도피롤리딘R-AAP(R)-3-ACETAMIDO-PYRROLIDINE(R)-3-Acetylaminopyrrolidine(3R)-(+)-3-Acetadopyrrolidine(R)-N-PYRROLIDIN-3-YL-ACETAMIDE(3R)-(+)-3-Acetamidopyrrolidine >N-(3R)-3-Pyrrolidinyl-acetamide HCl

(3R)-(-)-3-AcetamidopyrrolidineN-(3-Pyrrolidinyl)acetamide #(R)-(+)-3-ACETAMIDOPYRROLIDINESCHEMBL39918SCHEMBL667136(R)-N-pyrrolidin-3-ylacetamide(3R)-3-ACETAMIDOPYRROLIDINEAKOS015897786

데이터베이스 식별자

CAS: 131900-62-4
PubChem CID: 7016129
DTXSID: DTXSID60426803
EC Number: 631-347-1
Nikkaji: J254.872K

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: 59 °C · 59°C
끓는 점: 70 · 70-72°C 40mm
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
굴절률: 47 ° · 47 ° (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 Light yellow to Light orange
BRN: 4904138 · 4904138

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 4 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.