CAS 37581-35-4 4-[(Piperidin-4-yl)methyl]aniline (HCID 10997824)

기본 정보

CAS: 37581-35-4
표준 SMILES: Nc1ccc(CC2CCNCC2)cc1
InChIKey: BLNHLPPJDFYMDH-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: 4-[(Piperidin-4-yl)methyl]aniline
IUPAC: 4-(piperidin-4-ylmethyl)aniline
현지명: 4-(4-피페리디닐메틸)-벤제나민
영어명: 4-(4-Piperidinylmethyl)-benzenamine
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

4-(4-piperidinylmethyl)Benzenamine4-[(piperidin-4-yl)methyl]aniline4-((piperidin-4-yl)methyl)anilineRefChem:509894985-798-737581-35-44-(Piperidin-4-ylmethyl)aniline4-(4-Aminophenylmethyl)piperidine4-PIPERIDIN-4-YLMETHYL-PHENYLAMINEMFCD105658474-(4-PIPERIDINYLMETHYL)-BENZENAMINE4-(4-piperidylmethyl)aniline

이름 더 보기

4-(4-피페리디닐메틸)-벤제나민

4-(piperidin-4-ylmethyl)-phenylamineBenzenamine, 4-(4-piperidinylmethyl)-SCHEMBL1264017DTXSID70451242BLNHLPPJDFYMDH-UHFFFAOYSA-NMBA58135AKOS006302458SB36909

데이터베이스 식별자

CAS: 37581-35-4
PubChem CID: 10997824
DTXSID: DTXSID70451242
EC Number: 985-798-7

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 344.1 · 344.1±22.0 °C(Predicted)
밀도: 1.039 · 1.039±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10 · 10+-.0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.