CAS 64172-98-1 4-((Benzyloxy)carbonyl)piperazine-2-carboxylic acid (HCID 5058362)

기본 정보

CAS: 64172-98-1
표준 SMILES: O=C(O)C1CN(C(=O)OCc2ccccc2)CCN1
InChIKey: ARLOIFJEXPDJGV-UHFFFAOYSA-N
분자식: C13H16N2O4
평균 분자량: 264.28 g/mol
단동위원소 질량: 264.11100699

이름 및 식별자

우선 이름: 4-((Benzyloxy)carbonyl)piperazine-2-carboxylic acid
IUPAC: 4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
영어명: N-4-Cbz-2-piperazinecarboxylic acid
분자식: C13H16N2O4
분자량: 264.28

이름 및 동의어

64172-98-14-((Benzyloxy)carbonyl)piperazine-2-carboxylic acidN-4-Cbz-2-piperazinecarboxylic acid4-N-CBZ-piperazine-2-carboxylic acid4-phenylmethoxycarbonylpiperazine-2-carboxylic Acid4-cbz-piperazine-2-carboxylic acid4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acidMFCD021791164-N-Cbz-Piperazine-2-carboxylicacid4-benzyloxycarbonylpiperazine-2-carboxylic acid4-Cbz-2-piperaz(R)-4-carbobenzyloxypiperazine-2-carboxylic acid

이름 더 보기

4-CBZ-2-PIPERAZINECARBOXYLIC ACID4-N-CBZ-2-PIPERAZINE CARBOXYLIC ACID4-CBZ-PIPERAZINE-2-(+/-)-CARBOXYLIC ACID1-BENZYL-1,3-PIPERAZINEDICARBOXYLIC ACIDPiperazine-2-carboxylic acid, N4-CBZ protectedPIPERAZINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTERN-BENZYLOXY CARBONYL PIPERIZINE-2-CARBOXYLIC ACID

4-carbobenzoxypiperazine-2-carboxylic acid(2R)-4-benzyloxycarbonylpiperazine-2-carboxylic acidSCHEMBL2818794DTXSID30407886ARLOIFJEXPDJGV-UHFFFAOYSA-NSBB067534AKOS015911252AB11022

데이터베이스 식별자

CAS: 64172-98-1
PubChem CID: 5058362
DTXSID: DTXSID30407886
EC Number: 675-911-5

물성

구조 계산 물성

XLogP: -1.7
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 329

물리화학적 성질

끓는 점: 465.1 · 465.1±45.0 °C(Predicted)
밀도: 1.294 · 1.294±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 2.2 · 2.20±0.20(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.