N-Methyl-L-proline

HCID 643474

기본 정보

CAS: 475-11-6
표준 SMILES: CN1CCC[C@H]1C(=O)O
InChIKey: CWLQUGTUXBXTLF-YFKPBYRVSA-N
분자식: C6H11NO2
평균 분자량: 129.16 g/mol
단동위원소 질량: 129.07897859

개요

N-methylproline is an L-proline derivative obtained by replacement of the amino hydrogen by a methyl group. It has a role as a plant metabolite and a human metabolite. It is a tertiary amino compound and a L-proline derivative. It is a tautomer of a N-methylproline zwitterion.

이름 및 식별자

우선 이름: N-Methyl-L-proline
IUPAC: (2S)-1-methylpyrrolidine-2-carboxylic acid
영어명: N-Methyl-L-proline
분자식: C6H11NO2
분자량: 129.16

이름 및 동의어

N-Methyl-L-proline475-11-6N-methylprolineCHEBI:90344DTXSID30349191RefChem:830531DTXCID90300263N-Methylpyrrolidine-2-carboxylic acidh-n-me-pro-ohHYGRIC ACID(2S)-1-methylpyrrolidine-2-carboxylic acid1-methyl-L-proline

이름 더 보기

N-Me-ProN-ME-PROLINEHygrinic acidN-Me-L-Pro-OHPYRD(2)-OH H2O

N-Me-Pro-OHL-Proline, 1-methyl-(S)-1-methylpyrrolidine-2-carboxylic acidMFCD00011565methyl-l-prolineN-methyl proline(S)-1-Methyl-pyrrolidine-2-carboxylic acid(S)-methylproline

데이터베이스 식별자

CAS: 475-11-6
PubChem CID: 643474
DTXSID: DTXSID30349191
ChEBI: CHEBI:90344
EC Number: 849-164-2
Nikkaji: J5.969B

물성

구조 계산 물성

XLogP: -1.9
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 114 · 114-116 °C(lit.)
끓는 점: 227 ℃ · 227℃
밀도: 1.153 · 1.153
인화점: 91.1 ℃ · 91.1℃
굴절률: 1.5 · 1.5000
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 2.37 · 2.37±0.20(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 물과 메탄올에 용해됨(모두 50mg/ml-투명-무색 용액)
InChI: InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey: CWLQUGTUXBXTLF-YFKPBYRVSA-N
SMILES: C(O)(=O)[C@@H]1CCCN1C

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

wgk: 3
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsPlacenta

응용 분야

용도N-Methyl-L-proline, is an aminoacid which is widely used in pharmaceuticals and food industry.

상·하류 제품 정보

상류 원료

포르말린 L-(-)-프로린 수소 메틸알콜 팔라듐 물 활성화 챠콜

공급사100 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

추가 설명 · 1건

정의ChEBI: N-methylproline is an L-proline derivative obtained by replacement of the amino hydrogen by a methyl group. It has a role as a plant metabolite and a human metabolite. It is a L-proline derivative and a tertiary amino compound. It is a tautomer of a N-methylproline zwitterion.