1-메틸-5-옥소-DL-프롤린

1-methyl-5-oxo-DL-proline

HCID 13458634

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72442-37-6
표준 SMILES: CN1C(=O)CCC1C(=O)O
InChIKey: SHLYZEAOVWVTSW-UHFFFAOYSA-N
분자식: C6H9NO3
평균 분자량: 143.14 g/mol
단동위원소 질량: 143.05824315

이름 및 식별자

우선 이름: 1-methyl-5-oxo-DL-proline
IUPAC: 1-methyl-5-oxopyrrolidine-2-carboxylic acid
현지명: 1-메틸-5-옥소-DL-프롤린
영어명: 1-methyl-5-oxo-DL-proline
분자식: C6H9NO3
분자량: 143.14

이름 및 동의어

72442-37-61-Methyl-5-oxo-DL-prolineEINECS 276-664-2RefChem:434476276-664-21-METHYL-5-OXOPYRROLIDINE-2-CARBOXYLIC ACID1-methyl-5-oxo-pyrrolidine-2-carboxylic acidMFCD157301501-METHYL-5-OXO-PROLINEN-methyl-2-pyrrolidone-5-carboxylic acidProline, 1-methyl-5-oxo-SCHEMBL159149

이름 더 보기

1-메틸-5-옥소-DL-프롤린1-methyl-5-oxypyrolidine-2-carboxylic acid1-methyl-5-oxo-pyrrolidine-2-carboxylic acid - [M87316]

N-Methyl-DL-pyroglutamic AcidSHLYZEAOVWVTSW-UHFFFAOYSA-NXCA44237AKOS012169845MB14791BS-17473DA-29149SY361897

데이터베이스 식별자

CAS: 72442-37-6
PubChem CID: 13458634
EC Number: 276-664-2

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: 158 °C · 158 °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

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)

Aggregated GHS information provided per 2 reports by companies from 2 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.