6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline

HCID 2756371

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 164148-92-9
표준 SMILES: CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1
InChIKey: OLOIFCYZWOTWRO-UHFFFAOYSA-N
분자식: C14H20N2O2
평균 분자량: 248.32 g/mol
단동위원소 질량: 248.15247788

이름 및 식별자

우선 이름: 6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline
IUPAC: tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
영어명: 6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline
분자식: C14H20N2O2
분자량: 248.32

이름 및 동의어

6-amino-2-n-boc-1,2,3,4-tetrahydro-isoquinolineRefChem:540174672-211-1164148-92-9tert-butyl 6-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate6-Amino-2-N-BOC-1,2,3,4-tetrahydroisoquinolinetert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate2-Boc-6-Amino-1,2,3,4-tetrahydroisoquinolineMFCD03426351tert-butyl 6-amino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6-AMINO-3,4-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER6-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline

이름 더 보기

6-AMINO-2-BOC-3,4-DIHYDRO-1H-ISOQUINOLINE6-Amino-2-Boc-1,2,3,4-tetrahydro-isoquinoline6-Amino-2-N-Boc-1,2,3,4-tetrahydroisoquinoline, >=98%REF DUPL: 6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline

6-amino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl esterSCHEMBL61143SCHEMBL29377835DTXSID20373344OLOIFCYZWOTWRO-UHFFFAOYSA-NCS-M00252-Boc-6-Amino-1,2,3,4-tetrSBB100449

데이터베이스 식별자

CAS: 164148-92-9
PubChem CID: 2756371
DTXSID: DTXSID20373344
EC Number: 672-211-1

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 311

물리화학적 성질

끓는 점: 394.7 · 394.7±42.0 °C(Predicted)
밀도: 1.145 · 1.145±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 4.35 · 4.35±0.20(Predicted)
InChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey: OLOIFCYZWOTWRO-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(N)C=C2)CCN1C(OC(C)(C)C)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

ridadr: UN2811
HS 번호: 2922390090
risk_code: 36/37/38-50-22
hazard_code: Xn,N
safety_code: 26-36/37/39-61

화학 및 산업

공급사100 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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