6-(Z-아미노)-1-헥산올

Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester

HCID 4184071CAS 17996-12-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(NCCCCCCO)OCc1ccccc1
InChIKey: JMOQYRXPJQMWRQ-UHFFFAOYSA-N
분자식: C14H21NO3
평균 분자량: 251.32 g/mol
단동위원소 질량: 251.15214353

이름 및 식별자

우선 이름: Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester
IUPAC: benzyl N-(6-hydroxyhexyl)carbamate
현지명: 6-(Z-아미노)-1-헥산올
영어명: 6-(Z-amino)-1-hexanol
분자식: C14H21NO3
분자량: 251.32

이름 및 동의어

Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl esterRefChem:57388217996-12-2Benzyl (6-hydroxyhexyl)carbamate6-(Z-Amino)-1-hexanolBenzyl N-(6-hydroxyhexyl)carbamateN-Cbz-6-Amino-hexan-1-olMFCD00859036Cbz-6-Aminohexan-1-OlCarbamic acid, N-(6-hydroxyhexyl)-, phenylmethyl ester(6-Hydroxy-hexyl)-carbamic acid benzyl esterN-Cbz-6-hydroxyhexylamine

이름 더 보기

6-(Z-아미노)-1-헥산올Z-ACP(6)-OLZ-NH-(CH2)6-OHCarbamic acid, (6-hy6-(2-Amino)-1-hexanolCBZ-6-AMINO-HEXAN-1-OLBenzyl (6-hydroxyhexyl)

6-(N-Benzyloxycarbonylamino)-1-hexanolSCHEMBL234271N-Carbobenzyloxy-6-Aminohexan-1-ol6-(Z-Amino)-1-hexanol, >=98.0%AC-15144FT-06510956-(Cbz-amino)-1-hexanolorb3176376

데이터베이스 식별자

CAS: 17996-12-2
PubChem CID: 4184071
DTXSID: DTXSID80400443
Nikkaji: J405.769D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 9
무거운 원자 수: 18
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 80 · 80-82 °C
끓는 점: 419.6 · 419.6±38.0 °C(Predicted)
밀도: 1.087 · 1.087±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 12.71 · 12.71±0.46(Predicted)
물리적 상태: powder
BRN: 2121987 · 2121987
InChI: InChI=1S/C14H21NO3/c16-11-7-2-1-6-10-15-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,15,17)
InChIKey: JMOQYRXPJQMWRQ-UHFFFAOYSA-N
SMILES: C(OCC1=CC=CC=C1)(=O)NCCCCCCO

안전 및 규제

유해성 정보

Regulatory InformationCarbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.