1-[(벤질옥시)카르보닐]-3-피페리딘카르복실산

1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid

HCID 234339CAS 78190-11-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C1CCCN(C(=O)OCc2ccccc2)C1
InChIKey: FFLPIVZNYJKKDM-UHFFFAOYSA-N
분자식: C14H17NO4
평균 분자량: 263.29 g/mol

이름 및 식별자

우선 이름: 1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid
IUPAC: 1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
현지명: 1-[(벤질옥시)카르보닐]-3-피페리딘카르복실산
영어명: 1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid
분자식: C14H17NO4
분자량: 263.29

이름 및 동의어

1-[(BENZYLOXY)CARBONYL]PIPERIDINE-3-CARBOXYLIC ACID1-((benzyloxy)carbonyl)piperidine-3-carboxylic acidRefChem:418795806-927-478190-11-11-[(benzyloxy)carbonyl]-3-piperidinecarboxylic acidn-cbz-piperidine-3-carboxylic acid(R)-N-Cbz-Piperidine-3-carboxylic acid1-Benzyloxycarbonylpiperidine-3-carboxylic acidMFCD029312821-CBZ-3-PIPERIDINECARBOXYLIC ACID1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

이름 더 보기

1-[(벤질옥시)카르보닐]-3-피페리딘카르복실산Cbz-DL-Nip-OHBUTTPARK 43\57-09RARECHEM AK RZ 0057TIMTEC-BB SBB0030781-CBZ-NIPECOTIC ACIDZ-Nipecotic Acid, 95%Z-Nipecotic acid, 98%+Z-Piperidine acid, 95%1-Carbobenzoxynipecotic Acid

1-Carbobenzoxy-3-piperidinecarboxylic Acid1-(benzyloxycarbonyl)piperidine-3-carboxylic acidAKOS016346146AC-224711-[(benzyloxy)carbonyl]-3-piperidinecarboxylicacidN-Cbz-nipecotic acid1-[benzyloxycarbonyl]piperidine-3-carboxylic acid1-((benzyloxy)carbonyl)-3-piperidinecarboxylic acid

데이터베이스 식별자

CAS: 78190-11-1
PubChem CID: 234339
EC Number: 806-927-4

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 325

물리화학적 성질

녹는점: 90 · 90-94 °C
끓는 점: 443.9 · 443.9±45.0 °C(Predicted)
밀도: 1.265 · 1.265±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.48 · 4.48±0.20(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C14H17NO4/c16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)
InChIKey: FFLPIVZNYJKKDM-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCCC(C(O)=O)C1

화학적 성질

White 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.