Boc-DL-류신

2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid

HCID 268473CAS 13139-15-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-UHFFFAOYSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol

이름 및 식별자

우선 이름: 2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
IUPAC: 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
현지명: Boc-DL-류신
영어명: Boc-DL-leucine
분자식: C11H21NO4
분자량: 231.29

이름 및 동의어

64727-35-12-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid2-((tert-butoxycarbonyl)amino)-4-methylpentanoic acidRefChem:450141815-472-0n-boc-dl-leucineboc-dl-leucine(Tert-butoxycarbonyl)leucineBoc-L-2-aminovaleric acidMFCD000769492-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acidBOC-[15N]LEU-OH

이름 더 보기

Boc-DL-류신CL042N-α-(t-Butoxycarbonyl)-DL-leucineN-(tert-Butoxycarbonyl)-DL-leucine(Tert-butoxycarbonyl)leucine - [B92210]Leucine, N-[(1,1-dimethylethoxy)carbonyl]-

N-tert-Butoxycarbonyl-L-leucineBoc-D-Leu-OH HO4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidn-boc-l-leucine monohydrateN-(tert-butoxycarbonyl)leucineMFCD00038294BOC-DL-LEU-OHN-t-boc-leucine

데이터베이스 식별자

CAS: 13139-15-6、64727-35-1
PubChem CID: 268473
ChEMBL: CHEMBL1740865
EC Number: 815-472-0
Nikkaji: J1.110.583A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

끓는 점: 356 · 356.0±25.0 °C(Predicted)
밀도: 1.061 · 1.061±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.02 · 4.02±0.21(Predicted)

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.