1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester

HCID 9837960CAS 186268-77-9

기본 정보

표준 SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OC
InChIKey: VLNHKSCDLQIJMI-VIFPVBQESA-N
분자식: C13H21NO4
평균 분자량: 255.31 g/mol
단동위원소 질량: 255.14705815

이름 및 식별자

우선 이름: 1-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl ester
IUPAC: methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
영어명: METHYL(2S)-1-(1,2-DIOXO-3,3-DIMETHYPENTYL)-2-PYRROLIDINECARBOXYLATE
분자식: C13H21NO4
분자량: 255.31

이름 및 동의어

186268-77-9methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylateDTXSID9012064741-(3,3-Dimethyl-1,2-dioxopentyl)-L-proline methyl esterRefChem:422725DTXCID201637882606-076-7Methyl(2S)-1-(1,2-dioxo-3,3-dimethypentyl)-2-pyrrolidinecarboxylateMethyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-pyrrolidine-2-carboxylateVLNHKSCDLQIJMI-VIFPVBQESA-NMFCD02179273SCHEMBL2004442

이름 더 보기

L-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-, methyl ester

AKOS015991367AKOS025393352Methyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylateEG-0048Methyl (3,3-dimethyl-2-oxopentanoyl)-L-prolinateMethyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate(S)-Methyl1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate(S)-Methyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate

데이터베이스 식별자

CAS: 186268-77-9
PubChem CID: 9837960
DTXSID: DTXSID901206474
EC Number: 606-076-7

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 63.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 362

물리화학적 성질

끓는 점: 338.7 · 338.7±52.0 °C(Predicted)
밀도: 1.118 · 1.118±0.06 g/cm3(Predicted)
산도 계수 (pKa): -3.45 · -3.45±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2918300090

화학 및 산업

공급사7 곳

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]

苏州美石生物科技有限公司1173954148q · [email protected]

杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

연결된 노트

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