N-(tert-butoxycarbonyl)-L-aspartic acid

HCID 99718CAS 13726-67-5

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기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O
InChIKey: KAJBMCZQVSQJDE-YFKPBYRVSA-N
분자식: C9H15NO6
평균 분자량: 233.22 g/mol
단동위원소 질량: 233.0899372

개요

Nalpha-(tert-butoxycarbonyl)-l-aspartic acid is an aspartic acid derivative.

이름 및 식별자

우선 이름: N-(tert-butoxycarbonyl)-L-aspartic acid
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid

이름 및 동의어

13726-67-5N-(tert-Butoxycarbonyl)-L-aspartic acidEINECS 237-294-7DTXSID301286262NSC 186910N-tert-Butoxycarbonyl-L-aspartic acidRefChem:828685DTXCID301716934237-294-7Boc-Asp-OHBoc-L-aspartic acidN-Boc-L-aspartic Acid

이름 더 보기

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-Boc-L-Asp-OH(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acidMFCD00037279N-Boc aspartic acid(TERT-BUTOXYCARBONYL)-L-ASPARTIC ACIDCHEBI:191068tert-butyloxycarbonyl-L-aspartic acid

데이터베이스 식별자

CAS: 13726-67-5
PubChem CID: 99718
DTXSID: DTXSID301286262
ChEMBL: CHEMBL17509
ChEBI: CHEBI:191068
EC Number: 237-294-7
Nikkaji: J278.016J

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 113 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 293

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.