2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid

HCID 3559319

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35264-05-2
표준 SMILES: CC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1
InChIKey: QSUXZIPXYDQFCX-UHFFFAOYSA-N
분자식: C13H23NO4
평균 분자량: 257.33 g/mol
단동위원소 질량: 257.16270822

이름 및 식별자

우선 이름: 2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid
IUPAC: 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
영어명: Tert-butoxycarbonylamino-cyclohexyl-acetic acid
분자식: C13H23NO4
분자량: 257.33

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}-2-cyclohexylacetic acid2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acidRefChem:447064674-646-235264-05-2N-Boc-2-Cyclohexyl-DL-glycine2-((tert-Butoxycarbonyl)amino)-2-cyclohexylacetic acidtert-Butoxycarbonylamino-cyclohexyl-acetic acidBoc-L-cyclohexylglycineN-Boc-2-Cyclohexylglycine2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic AcidMFCD04115511

이름 더 보기

BOC-DL-CHG-OHBoc-2-CyclohexylglycineN-Boc-RS-CyclohexylglycineN-Boc-DL-cyclohexylglycineBoc-2-Cyclohexyl-D-Glycine2-(Boc-amino)-2-cyclohexylacetic AcidN-tert-Butoxycarbonyl-DL-cyclohexylglycineTert-butoxycarbonylamino-cyclohexyl-acetic acid USP/EP/BP

2-(tert-butoxycarbonylamino)-2-cyclohexylacetic acid[(tert-butoxycarbonyl)amino](cyclohexyl)acetic acidBoc-alpha-Cyclohexyl-D-glycineBoc-D-2-cyclohexylglycineBoc-L-2-cyclohexylglycineSCHEMBL8448232-((tert-Butoxycarbonyl)amino)-2-cyclohexylaceticacid2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetic acid

데이터베이스 식별자

CAS: 35264-05-2
PubChem CID: 3559319
DTXSID: DTXSID60393627
EC Number: 674-646-2

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 303

물리화학적 성질

끓는 점: 407.9 · 407.9±28.0 °C(Predicted)
밀도: 1.111 · 1.111±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.01 · 4.01±0.10(Predicted)
물리적 상태: Solid
색상: White to off-white

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.