1-(3-Isopropoxyphenyl)methanamine

HCID 2760935CAS 386704-11-6

기본 정보

표준 SMILES: CC(C)Oc1cccc(CN)c1
InChIKey: YRNFZPXUBVUYBJ-UHFFFAOYSA-N
분자식: C10H15NO
평균 분자량: 165.23 g/mol
단동위원소 질량: 165.1153641

이름 및 식별자

우선 이름: 1-(3-Isopropoxyphenyl)methanamine
IUPAC: (3-propan-2-yloxyphenyl)methanamine
영어명: 1-(3-Isopropoxyphenyl)methanamine
분자식: C10H15NO
분자량: 165.23

이름 및 동의어

1-(3-Isopropoxyphenyl)methanamineRefChem:423925811-364-2(3-isopropoxyphenyl)methanamine400771-44-0(3-isopropoxybenzyl)amineMFCD04037891(3-propan-2-yloxyphenyl)methanamine[3-(propan-2-yloxy)phenyl]methanamine3-Isopropoxybenzyl AmineBenzenemethanamine, 3-(1-methylethoxy)-3-Isopropoxybenzylamine

이름 더 보기

3-Isopropoxybenzylamine 95+%3-(Isopropoxy)benzenemethanamine(3-isopropoxyphenyl)methanamine HCl3-(1-Methylethoxy)benzenemethanamine(3-isopropoxybenzyl)amine(SALTDATA: FREE){3-[(Prop-2-yl)oxy]phenyl}methylamine, 3-(Aminomethyl)phenyl isopropyl ether

[3-(methylethoxy)phenyl]methylamine(3-iso-propoxy)benzyl amine1-[3-(propan-2-yloxy)phenyl]methanamine3-(isopropoxy)benzylamine3-isopropoxyphenylmethanamineSCHEMBL756850SCHEMBL1768209CHEMBL4590692

데이터베이스 식별자

CAS: 386704-11-6、400771-44-0
PubChem CID: 2760935
DTXSID: DTXSID00959509
ChEMBL: CHEMBL4590692
EC Number: 811-364-2

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 125

물리화학적 성질

끓는 점: 70 ℃/0.05mm · 70℃/0.05mm
밀도: 0.99 · 0.990±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.12 · 9.12±0.10(Predicted)
물리적 상태: 기름
색상: Clear, colourless

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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.；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.