1-메틸-L-프롤린메틸에스테르

(S)-Methyl 1-methylpyrrolidine-2-carboxylate

HCID 10920622

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 27957-91-1
표준 SMILES: COC(=O)[C@@H]1CCCN1C
InChIKey: WBXUFOSSZLFNPQ-LURJTMIESA-N
분자식: C7H13NO2
평균 분자량: 143.18 g/mol

이름 및 식별자

우선 이름: (S)-Methyl 1-methylpyrrolidine-2-carboxylate
IUPAC: methyl (2S)-1-methylpyrrolidine-2-carboxylate
현지명: 1-메틸-L-프롤린메틸에스테르
영어명: 1-Methyl-L-proline methyl ester
분자식: C7H13NO2
분자량: 143.18

이름 및 동의어

27957-91-1(S)-Methyl 1-methylpyrrolidine-2-carboxylateRefChem:408139851-713-6METHYL (2S)-1-METHYLPYRROLIDINE-2-CARBOXYLATE1-Methyl-L-proline methyl estermethyl methyl-L-prolinateMethyl (-)-hygrateMFCD19704709(S)-Methyl1-methylpyrrolidine-2-carboxylateN-Methyl-L-proline Methyl Estermethyl methylprolinate

이름 더 보기

1-메틸-L-프롤린메틸에스테르Pentanoylchloride,4-propyl-L-Proline, 1-methyl-, methyl estermethyl methyl-L-prolinate27957-91-1Methyl 1-Methylpyrrolidine-2-carboxylate

Proline, 1-methyl, methyl esterMethyl 1-methyl-2-pyrrolidinecarboxylate, (L)-methylproline methyl esterN-Methyl Proline Methyl EsterN-Methyl-proline Methyl EsterSCHEMBL3568144N-Methyl (L)-Proline Methyl EsterAKOS024259007

데이터베이스 식별자

CAS: 27957-91-1
PubChem CID: 10920622
EC Number: 851-713-6
Nikkaji: J109.251K

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 64 °C · 64 °C(Press: 6 Torr)
밀도: 1.042 · 1.042±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.479 · 8.479±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, 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.