2-(tert-부톡시카르보닐아미노)펜트-4-에노산

2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid

HCID 5166119

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 119479-32-2
표준 SMILES: C=CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: BUPDPLXLAKNJMI-UHFFFAOYSA-N
분자식: C10H17NO4
평균 분자량: 215.25 g/mol
단동위원소 질량: 215.11575802

이름 및 식별자

우선 이름: 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
현지명: 2-(tert-부톡시카르보닐아미노)펜트-4-에노산
영어명: 2-(Tert-Butoxycarbonylamino)Pent-4-Enoic Acid
분자식: C10H17NO4
분자량: 215.25

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}pent-4-enoic acid2-(((tert-butoxy)carbonyl)amino)pent-4-enoic acidRefChem:447187845-933-1119479-32-22-((tert-Butoxycarbonyl)amino)pent-4-enoic acid2-(TERT-BUTOXYCARBONYLAMINO)PENT-4-ENOIC ACID4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(Boc-amino)-4-pentenoic acidMFCD026824452-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic Acid2-((tert-Butoxycarbonyl)amino)pent-4-enoicacid

이름 더 보기

2-(tert-부톡시카르보닐아미노)펜트-4-에노산Boc-DL-Allylglycine2-Boc-AMino-4-pentenoic acidN-tert-Butoxycarbonyl-dl-allylglycine2-tertbutyloxycarbonylamino-4-pentyleneacid2-((tert-butyloxycarbonyl)amino)-4-pentenoic acid

2-[(tert-butoxycarbonyl)amino]pent-4-enoic acidBoc-D-Allylglycine.DCHABoc-l-beta-algL-Boc-Allylglycine2-(BOC-AMINO)PENT-4-ENOIC ACIDBoc-DL-Allyl-Gly-OHSCHEMBL212773DTXSID10409080

데이터베이스 식별자

CAS: 119479-32-2
PubChem CID: 5166119
DTXSID: DTXSID10409080
EC Number: 845-933-1
Nikkaji: J686.564J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 15
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 109 °C · 109 °C(Solv: dichloromethane (75-09-2); pentane (109-66-0))
끓는 점: 352 · 352.0±35.0 °C(Predicted)
밀도: 1.097 · 1.097±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 3.83 · 3.83±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.