1-메틸-5-옥소-L-프롤린

(2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid

HCID 18649403CAS 52574-06-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1C(=O)CC[C@H]1C(=O)O
InChIKey: SHLYZEAOVWVTSW-BYPYZUCNSA-N
분자식: C6H9NO3
평균 분자량: 143.14 g/mol
단동위원소 질량: 143.05824315

이름 및 식별자

우선 이름: (2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
IUPAC: (2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
현지명: 1-메틸-5-옥소-L-프롤린
영어명: 1-Methyl-5-oxo-L-Proline
분자식: C6H9NO3
분자량: 143.14

이름 및 동의어

(2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid1-methyl-5-oxoprolineRefChem:397852821-911-752574-06-8(S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid1-Methyl-5-oxo-L-ProlineMFCD19228297N-methyl-L-pyroglutamic acidN-methyl-5-oxoprolineN-methylpyroglutamic acidSCHEMBL647325

이름 더 보기

1-메틸-5-옥소-L-프롤린L-Proline, 1-Methyl-5-oxo-

1-METHYL-5-OXO-PROLINEDTXSID00595365SHLYZEAOVWVTSW-BYPYZUCNSA-NAKOS006380138DS-9685DA-31693SY105837DB-211224

데이터베이스 식별자

CAS: 52574-06-8
PubChem CID: 18649403
DTXSID: DTXSID00595365
EC Number: 821-911-7
Nikkaji: J291.362C

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 148 · 148-150 °C
끓는 점: 361.7 · 361.7±35.0 °C(Predicted)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.53 · 3.53±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.