TERT-부틸3-(메톡시(메틸)카바모일)피롤리딘-1-카복실레이트

Tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate

HCID 57419605CAS 569667-93-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIKey: LAAAMOQBIKIHLV-UHFFFAOYSA-N
분자식: C12H22N2O4
평균 분자량: 258.31 g/mol

이름 및 식별자

우선 이름: Tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
현지명: TERT-부틸3-(메톡시(메틸)카바모일)피롤리딘-1-카복실레이트
영어명: TERT-BUTYL 3-(METHOXY(METHYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATE
분자식: C12H22N2O4
분자량: 258.31

이름 및 동의어

569667-93-2TERT-BUTYL 3-(METHOXY(METHYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATEtert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylateRefChem:893125965-060-0MFCD11975774N-Methoxy-N-methyl-1-Boc-pyrrolidine-3-carboxamidetert-butyl 3-(N-methoxy-N-methylcarbamoyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[(methoxymethylamino)carbonyl]-,1,1-dimethylethyl ester3-(methoxy-methyl-carbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester1-Boc-N-methoxy-N-methylpyrrolidine-3-carboxamideSCHEMBL389962

이름 더 보기

TERT-부틸3-(메톡시(메틸)카바모일)피롤리딘-1-카복실레이트Tert-Butyl 3-(Methoxy(Methyl)Carbamoyl)Pyrrolidine-1-Carboxylate(WXC00691)

LAAAMOQBIKIHLV-UHFFFAOYSA-NAKOS026745990SB48284AS-74215SY126564DB-299113CS-0039022EN300-7397701

데이터베이스 식별자

CAS: 569667-93-2
PubChem CID: 57419605
EC Number: 965-060-0

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 59.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 325

물리화학적 성질

끓는 점: 326.205 · 326.205±52.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.131 · 1.131±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): -2.674 · -2.674±0.40(predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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