1-[(벤질옥시)카르보닐]피페리딘-4-카르복실산

1-Carbobenzoxy-4-piperidinecarboxylic Acid

HCID 736489CAS 10314-98-4

기본 정보

표준 SMILES
O=C(O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey
URTPNQRAHXRPMP-UHFFFAOYSA-N
분자식
C14H17NO4
평균 분자량
263.29 g/mol
단동위원소 질량
263.11575802

이름 및 식별자

우선 이름
1-Carbobenzoxy-4-piperidinecarboxylic Acid
IUPAC
1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
현지명
1-[(벤질옥시)카르보닐]피페리딘-4-카르복실산
영어명
1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid
분자식
C14H17NO4
분자량
263.29

이름 및 동의어

1-Carbobenzoxy-4-piperidinecarboxylic AcidRefChem:431138674-532-210314-98-41-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acidN-Cbz-4-piperidinecarboxylic acid1-((benzyloxy)carbonyl)piperidine-4-carboxylic acid1-cbz-piperidine-4-carboxylic acid1-CBZ-4-piperidinecarboxylic acid1-Benzyloxycarbonylpiperidine-4-carboxylic acidMFCD015687591-(Benzyloxycarbonyl)piperidine-4-carboxylic acid
이름 더 보기
1-[(벤질옥시)카르보닐]피페리딘-4-카르복실산Z-INP-OHZ-NIP-OHZ-PIC(4)-OHCbz-DL-Inp-OHBUTTPARK 75\50-27RARECHEM AL BE 0487TIMTEC-BB SBB003079Z-ISONIPECOTIC ACIDN-CBZ-ISONIPECOTIC ACID
1-[(benzyloxy)carbonyl]-4-piperidinecarboxylic acidpiperidine-1,4-dicarboxylic acid monobenzyl ester1-phenylmethoxycarbonylpiperidine-4-carboxylic acid1-Carbobenzoxyisonipecotic Acid1-(benzyloxycarbonyl)isonipecotic acidC2563Piperidine-1,4-dicarboxylic acid benzyl ester1-[(benzyloxy)carbonyl]-4-piperidine carboxylic acid

데이터베이스 식별자

CAS
10314-98-4
PubChem CID
736489
ChEMBL
CHEMBL1428992
EC Number
674-532-2
Nikkaji
J2.484.793D

물성

구조 계산 물성

XLogP
1.6
극성 표면적
66.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
19

물리화학적 성질

녹는점
78 °C · 78 °C
끓는 점
443.9 · 443.9±45.0 °C(Predicted)
밀도
1.265 · 1.265±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됨
물리적 상태
powder to crystal

화학적 성질

Whtie powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.7%);Acute Tox. 4 (16.7%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (16.7%);STOT SE 3 (83.3%)

안전 데이터

HS 번호
29333990
risk_code
36/37/38-36
hazard_code
Xi
safety_code
26-36/37/39-37/39
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 1건

용도1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid serves as a precursor for synthesizing benzyl 4-{[(2-cyano-4,5-dimethoxyphenyl)amino]carbonyl}piperidine-1-carboxylate via reaction with 2-amino-4,5-dimethoxybenzonitrile, where the acid is first treated with oxalyl chloride and DMF in dichloromethane to form an intermediate[1].

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

관련 반응

329건

연결된 노트

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1-Carbobenzoxy-4-piperidinecarboxylic Acid (HCID 736489)|Huagongshe