6-아미노-2-아자-스피로[3.3]헵탄-2-카르복실산tert-부틸에스테르

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate

HCID 46930560

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1211586-09-2
표준 SMILES: CC(C)(C)OC(=O)N1CC2(CC(N)C2)C1
InChIKey: WJDUCDSPGKNBBW-UHFFFAOYSA-N
분자식: C11H20N2O2
평균 분자량: 212.29 g/mol
단동위원소 질량: 212.15247788

이름 및 식별자

우선 이름: tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
IUPAC: tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
현지명: 6-아미노-2-아자-스피로[3.3]헵탄-2-카르복실산tert-부틸에스테르
영어명: 6-Amino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester
분자식: C11H20N2O2
분자량: 212.29

이름 및 동의어

1211586-09-2tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylateDTXSID80677370tert-Butyl 6-amino-2-azaspiro(3.3)heptane-2-carboxylateRefChem:383691DTXCID70628119806-623-12-Boc-6-Amino-2-aza-spiro[3.3]heptane6-AMINO-2-AZA-SPIRO[3.3]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER6-Amino-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl esterMFCD15071432DS-2340

이름 더 보기

6-아미노-2-아자-스피로[3.3]헵탄-2-카르복실산tert-부틸에스테르6-amino-2-aza-spiro[3.3]h...6-Amino-2-azaspiro[3.3]heptane, N2-BOC protectedtert-butyl 2-aMino-6-azaspiro[3.3]heptane-6-carboxylate1,1-Dimethylethyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate6-amino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl...6-Amino-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester - [A6046]2-?Azaspiro[3.3]?heptane-?2-?carboxylic acid, 6-?amino-?, 1,?1-?dimethylethyl ester

AS-813/435016666-Amino-2-azaspiro[3.3]heptane-2-carboxylic acid 1,1-dimethylethyl esterBCP148666-Amino-2-aza-spiro[3.3]heptane-2-carboxylicacidtert-butylesterorb3031662SCHEMBL9993623WJDUCDSPGKNBBW-UHFFFAOYSA-NCS-B1364

데이터베이스 식별자

CAS: 1211586-09-2
PubChem CID: 46930560
DTXSID: DTXSID80677370
EC Number: 806-623-1

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 269

물리화학적 성질

녹는점: 115 ℃ · 115℃
끓는 점: 300.7 · 300.7±42.0 °C(Predicted)
밀도: 1.12 · 1.12
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 10.26 · 10.26±0.20(Predicted)
물리적 상태: 고체
색상: 연노랑
InChI: InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11/h8H,4-7,12H2,1-3H3
InChIKey: WJDUCDSPGKNBBW-UHFFFAOYSA-N
SMILES: C1C2(CC(N)C2)CN1C(OC(C)(C)C)=O

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, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.