Boc-DL-3-아미노이소부티르산

3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid

HCID 4192640

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16948-10-0
표준 SMILES: CC(CNC(=O)OC(C)(C)C)C(=O)O
InChIKey: GDQRNRYMFXDGMS-UHFFFAOYSA-N
분자식: C9H17NO4
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.11575802

이름 및 식별자

우선 이름: 3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid
IUPAC: 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
현지명: Boc-DL-3-아미노이소부티르산
영어명: Boc-DL-3-Aminoisobutyric acid
분자식: C9H17NO4
분자량: 203.24

이름 및 동의어

16948-10-03-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acidDTXSID70400614RefChem:273055DTXCID70351470801-159-6Boc-DL-3-Aminoisobutyric acidboc-dL-beta-aib-OHMFCD020941372-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid3-(Tert-butoxycarbonylamino)-2-methylpropionic acid

이름 더 보기

Boc-DL-3-아미노이소부티르산REF DUPL: Boc-DL-3-Aminoisobutyric acid3-(tert-butoxycarbonyl)-2-methylpropanoic acid3-((tert-Butoxycarbonyl)amino)-2-methylpropanoicN-((tert-Butoxy)carbonyl)-DL-3-aminoisobutyric acid3-(tert-butoxycarbonylamino)-2-methylpropanoic acidBoc-DL-3-AMinoisobutyric acid Boc-DL-3-AMinoisobutyric acidPropanoic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-2-Methyl-, (±)-

3-(BOC-AMINO)-2-METHYLPROPANOIC ACID3-{[(tert-butoxy)carbonyl]amino}-2-methylpropanoic acidAB17479DS-15269SY101744(S)-3-TERT-BUTOXYCARBONYLAMINO-2-METHYL-PROPIONIC ACID(R)-3-TERT-BUTOXYCARBONYLAMINO-2-METHYL-PROPIONIC ACIDSY032115

데이터베이스 식별자

CAS: 16948-10-0
PubChem CID: 4192640
DTXSID: DTXSID70400614
EC Number: 801-159-6
Nikkaji: J1.633.809E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 89 · 89-90℃ (ethyl ether pentane )
끓는 점: 339.5 · 339.5±25.0 °C(Predicted)
밀도: 1.101 · 1.101±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.53 · 4.53±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.