(2S)-2-(((tert-butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid

HCID 10588189

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37736-82-6
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)O
InChIKey: MSZQAQJBXGTSHP-NSHDSACASA-N
분자식: C14H25NO4
평균 분자량: 271.35 g/mol
단동위원소 질량: 271.17835828

이름 및 식별자

우선 이름: (2S)-2-(((tert-butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid
IUPAC: (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
영어명: Boc-beta-cyclohexyl-Ala-OH
분자식: C14H25NO4
분자량: 271.35

이름 및 동의어

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid(2S)-2-(((tert-butoxy)carbonyl)amino)-3-cyclohexylpropanoic acidRefChem:397995976-330-237736-82-6Boc-Cha-OH(S)-2-((tert-Butoxycarbonyl)amino)-3-cyclohexylpropanoic acidBOC-BETA-CYCLOHEXYL-ALA-OHBoc-L-Cha-OHMFCD00076896Boc-3-cyclohexyl-L-alanine(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

이름 더 보기

Boc-L-Cha-OH (Oil)Boc-β-cyclohexyl-ala-OHBoc-b-cyclohexyl-Ala-OHBoc-β-cyclohexyl-L-alanineBOC-L-3-Cyclohexyl Alanine

Boc-L-cyclohexylalanine(S)-2-tert-Butoxycarbonylamino-3-cyclohexyl-propionic acid(S)-2-(Boc-amino)-3-cyclohexylpropionic AcidCyclohexanepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)-N-(tert-butoxycarbonyl)-3-cyclohexyl-L-alanineboc-beta-cyclohexyl-l-alanine(2S)-2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoic acidMFCD00211335

데이터베이스 식별자

CAS: 37736-82-6
PubChem CID: 10588189
DTXSID: DTXSID10442199
ChEMBL: CHEMBL5305206
EC Number: 976-330-2
Nikkaji: J1.936.782G

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 316

물리화학적 성질

끓는 점: 420.4 · 420.4±28.0 °C(Predicted)
밀도: 1.083 · 1.083±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 4.02 · 4.02±0.10(Predicted)
물리적 상태: 42 °C · 42°C Liquid
BRN: 3060603 · 3060603
주요 응용: 펩타이드 합성
InChI: InChI=1/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/s3
InChIKey: MSZQAQJBXGTSHP-NSHDSACASA-N
SMILES: [C@H](C(=O)O)(NC(=O)OC(C)(C)C)CC1CCCCC1 |&1:0,r|

화학적 성질

White crystalline powder

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29242990
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도It is an agrochemical, organic and pharmaceutical intermediates.

상·하류 제품 정보

상류 원료

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

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