3-모르폴린-4-일메틸-벤질아민

3-Morpholin-4-ylmethyl-benzylamine

HCID 6484182

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 91271-83-9
표준 SMILES: NCc1cccc(CN2CCOCC2)c1
InChIKey: JCIFAZAIURDZQN-UHFFFAOYSA-N
분자식: C12H18N2O
평균 분자량: 206.28 g/mol
단동위원소 질량: 206.1419132

이름 및 식별자

우선 이름: 3-Morpholin-4-ylmethyl-benzylamine
IUPAC: [3-(morpholin-4-ylmethyl)phenyl]methanamine
현지명: 3-모르폴린-4-일메틸-벤질아민
영어명: 3-Morpholin-4-ylmethyl-benzylamine
분자식: C12H18N2O
분자량: 206.28

이름 및 동의어

91271-83-93-Morpholin-4-ylmethyl-benzylamineDTXSID40424408RefChem:281235DTXCID20375242(3-(Morpholinomethyl)phenyl)methanamine[3-(morpholin-4-ylmethyl)phenyl]methanamine[3-(morpholinomethyl)phenyl]methylamineMFCD066577771-[3-(Morpholin-4-ylmethyl)phenyl]methanamine3-Morpholin-4-ylmethylbenzylamine1-{3-[(morpholin-4-yl)methyl]phenyl}methanamine

이름 더 보기

3-모르폴린-4-일메틸-벤질아민TIMTEC-BB SBB0111563-Morpholin-4-ylmethylbenzylamine95%3-MORPHOLIN-4-YLMETHYLBENZYLAMINE 95%Benzenemethanamine, 3-(4-morpholinylmethyl)-

[3-(Morpholinomethyl)phenyl]methanamineCHEMBL4570509{3-[(morpholin-4-yl)methyl]phenyl}methanamine[3-(morpholin-4-ylmethyl)phenyl]methylamineSCHEMBL1103883-(Morpholinomethyl)benzylamineorb3030968SCHEMBL29350303

데이터베이스 식별자

CAS: 91271-83-9
PubChem CID: 6484182
DTXSID: DTXSID40424408
ChEMBL: CHEMBL4570509
EC Number: 987-889-7

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 38.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 180

물리화학적 성질

끓는 점: 323.2 · 323.2±32.0 °C(Predicted)
밀도: 1.103 · 1.103±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.08 · 9.08±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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 CategoriesSkin Corr. 1B (100%)；STOT SE 3 (100%)

안전 데이터

risk_code: 36
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

4-Cyanobenzyl bromide

공급사19 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

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

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

화합물 노트

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