tert-부틸2-(피롤리딘-3-일)에틸카바메이트

tert-butyl N-[2-(pyrrolidin-3-yl)ethyl]carbamate

HCID 21955469CAS 169750-93-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCC1CCNC1
InChIKey: OWGYHEOEGOLPEK-UHFFFAOYSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812795

이름 및 식별자

우선 이름: tert-butyl N-[2-(pyrrolidin-3-yl)ethyl]carbamate
IUPAC: tert-butyl N-(2-pyrrolidin-3-ylethyl)carbamate
현지명: tert-부틸2-(피롤리딘-3-일)에틸카바메이트
영어명: tert-butyl 2-(pyrrolidin-3-yl)ethylcarbamate
분자식: C11H22N2O2
분자량: 214.3

이름 및 동의어

TERT-BUTYL N-[2-(PYRROLIDIN-3-YL)ETHYL]CARBAMATEtert-butyl N-(2-(pyrrolidin-3-yl)ethyl)carbamateRefChem:895582823-394-3169750-93-0tert-Butyl (2-(pyrrolidin-3-yl)ethyl)carbamatetert-butyl 2-(pyrrolidin-3-yl)ethylcarbamatetert-butyl N-(2-pyrrolidin-3-ylethyl)carbamateMFCD128288301,1-Dimethylethyl N-[2-(3-pyrrolidinyl)ethyl]carbamatetert-Butyl [2-(pyrrolidin-3-yl)ethyl]carbamatetert-butyl 2-(3-pyrrolidinyl)ethylcarbamate

이름 더 보기

tert-부틸2-(피롤리딘-3-일)에틸카바메이트3-(2-N-Boc-aminoethyl)pyrrolidine[2-(3-Pyrrolidinyl)ethyl]carbamic acid tert-butyl esterCarbaMic acid, N-[2-(3-pyrrolidinyl)ethyl]-,1,1-diMethylethyl ester

3-(N-boc-aminoethyl)pyrrolidineSCHEMBL45207453-(2-Boc-aminoethyl)pyrrolidineDTXSID00620742OWGYHEOEGOLPEK-UHFFFAOYSA-NCarbamic acid, [2-(3-pyrrolidinyl)ethyl]-, 1,1-dimethylethyl esterAKOS015909751DB-064752

데이터베이스 식별자

CAS: 169750-93-0
PubChem CID: 21955469
DTXSID: DTXSID00620742
EC Number: 823-394-3

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 211

물리화학적 성질

끓는 점: 319.8 · 319.8±15.0 °C(Predicted)
밀도: 0.986 · 0.986
물리적 상태: 액체
산도 계수 (pKa): 12.85 · 12.85±0.46(Predicted)
색상: 투명한

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.