기본 정보
- CAS
138022-02-3- 표준 SMILES
CNCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
FXEYGOYVUJFORB-UHFFFAOYSA-N- 분자식
- C12H24N2O2
- 평균 분자량
- 228.33 g/mol
- 단동위원소 질량
- 228.18377801
이름 및 식별자
- 우선 이름
- tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(methylaminomethyl)piperidine-1-carboxylate
- 현지명
- 4-[(메틸아미노)메틸]피페리딘-1-카르복실산TERT-부틸에스테르
- 영어명
- 4-[(METHYLAMINO)METHYL]PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- 분자식
- C12H24N2O2
- 분자량
- 228.33
이름 및 동의어
138022-02-3tert-butyl 4-((methylamino)methyl)piperidine-1-carboxylatetert-Butyl 4-[(Methylamino)methyl]piperidine-1-carboxylateDTXSID80620321RefChem:383447DTXCID70571075851-196-74-[(METHYLAMINO)METHYL]PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Boc-4-[(Methylamino)methyl]piperidineMFCD066566294-Methylaminomethyl-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-(methylaminomethyl)piperidine-1-carboxylate
이름 더 보기
4-[(메틸아미노)메틸]피페리딘-1-카르복실산TERT-부틸에스테르1-N-BOC-4-[(METHYLAMINO)METHYL]PIPERIDINEtert-butyl 4-((MethylaMino)Methyl)piperidin-1-carboxylate1-piperidinecarboxylic acid, 4-[(methylamino)methyl]-, 1,1tert-Butyl 4-[(methylamino)methyl]-1-piperidinecarboxylatetert-butyl 2-methyl-4-(methylamino)piperidine-1-carboxylate1,1-Dimethylethyl 4-[(methylamino)methyl]-1-piperidinecarboxylate4-(methylaminomethyl)-1-piperidinecarboxylic acid tert-butyl ester
1-Piperidinecarboxylic acid, 4-[(methylamino)methyl]-, 1,1-dimethylethyl ester1-piperidinecarboxylic acid, 4-[(methylamino)methyl]-, 1,1-dimethylethyl ester, oxalate (2:1)SCHEMBL627965SCHEMBL1487921FXEYGOYVUJFORB-UHFFFAOYSA-NALBB-013232SBB052504AKOS005173734
데이터베이스 식별자
- CAS
138022-02-3- PubChem CID
- 21934652
- DTXSID
DTXSID80620321- EC Number
- 851-196-7
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 228
물리화학적 성질
- 끓는 점
- 301 · 301.0±15.0 °C(Predicted)
- 밀도
- 0.988 · 0.988
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 10.41 · 10.41±0.10(Predicted)
화학적 성질
Colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 29333990
- risk_code
- 36737/38
- safety_code
- 26-36
화학 및 산업
상·하류 제품 정보
상류 원료
공급사80 곳
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