5-(((Tert-butoxy)carbonyl)amino)pentanoic acid

HCID 545848CAS 27219-07-4

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCCCC(=O)O
InChIKey: GFMRZAMDGJIWRB-UHFFFAOYSA-N
분자식: C10H19NO4
평균 분자량: 217.26 g/mol
단동위원소 질량: 217.13140809

이름 및 식별자

우선 이름: 5-(((Tert-butoxy)carbonyl)amino)pentanoic acid
IUPAC: 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
영어명: Boc-5-aminopentanoic acid
분자식: C10H19NO4
분자량: 217.26

이름 및 동의어

5-{[(tert-butoxy)carbonyl]amino}pentanoic acid5-(((Tert-butoxy)carbonyl)amino)pentanoic acidRefChem:528466628-000-127219-07-4Boc-5-aminopentanoic acidBoc-5-Ava-OH5-Boc-amino-pentanoic acid5-((tert-Butoxycarbonyl)amino)pentanoic acidBoc-NH-C4-acid5-(Boc-amino)valeric acid5-(tert-Butoxycarbonylamino)valeric Acid

이름 더 보기

BOC-5-AMINOVALERIC ACIDBOC-APE(5)-OHBoc-5-Ava-OH 97%BOC-NH-(CH2)4-COOHRARECHEM EM WB 0073Boc-d-aMinovaleric acid

N-Boc-5-aminopentanoic AcidMFCD000769035-[(tert-Butoxycarbonyl)amino]pentanoic acid5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid5-(tert-Butoxycarbonylamino)pentanoic Acidpentanoic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-boc-delta-aminovaleric acidN-Boc-5-aminovaleric Acid

데이터베이스 식별자

CAS: 27219-07-4
PubChem CID: 545848
DTXSID: DTXSID30338000
EC Number: 628-000-1
Nikkaji: J409.503K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 15
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 48 · 48-52 °C(lit.)
끓는 점: 160 · 160-168 °C0.8 mm Hg(lit.)
밀도: 1.1518 · 1.1518 (rough estimate)
굴절률: 1.45 · 1.4500 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)
색상: 회백색
BRN: 2048862 · 2048862
주요 응용: 펩타이드 합성
InChI: 1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey: GFMRZAMDGJIWRB-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NCCCCC(O)=O

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.