1-(4-메톡시-페닐)-에틸라민

1-(4-Methoxyphenyl)ethanamine

HCID 238181CAS 6298-96-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(C)N)cc1
InChIKey: JTDGKQNNPKXKII-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 1-(4-Methoxyphenyl)ethanamine
IUPAC: 1-(4-methoxyphenyl)ethanamine
현지명: 1-(4-메톡시-페닐)-에틸라민
영어명: 1-(4-Methoxy-phenyl)-ethylamine
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

1-(4-methoxyphenyl)ethanaminealpha-Methyl-4-methoxybenzylamineNSC-424426GC7UU4LDV4-Methoxy-alpha-methylbenzenemethanaminealpha-Methyl-4-methoxybenzenemethanamineDTXSID20285599Benzylamine, p-methoxy-alpha-methyl-P-METHOXY-.ALPHA.-METHYLBENZYLAMINEbenzenemethanamine, 4-methoxy-alpha-methyl-EC 700-847-2NSC 42442

이름 더 보기

1-(4-메톡시-페닐)-에틸라민1-(4-methoxyphenyl)ethan-1-amineNSC42442AKOS B006177AKOS BC-09841-ANISYLETHYLAMINETIMTEC-BB SBB007015ART-CHEM-BB B0061771-(4-Methoxypheny)ethylamine1-(P-METHOXYPHENYL)ETHYLAMINE

RefChem:425791DTXCID90236750P-METHOXY-ALPHA-METHYLBENZYLAMINE.ALPHA.-METHYL-4-METHOXYBENZYLAMINE(+-)-1-(4-METHOXYPHENYL)ETHYLAMINEBenzenemethanamine, 4-methoxy-.alpha.-methyl-(+-)-ALPHA-(P-METHOXYPHENYL)ETHYLAMINE(+-)-P-METHOXY-ALPHA-METHYLBENZYLAMINE

데이터베이스 식별자

CAS: 6298-96-0
PubChem CID: 238181
DTXSID: DTXSID20285599
UNII: 6GC7UU4LDV
EC Number: 700-847-2
Nikkaji: J450.682K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 129 · 129-132 °C(Press: 25 Torr)
밀도: 1.0308 g/cm3 · 1.0308 g/cm3
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.29 · 9.29±0.10(Predicted)
InChI: InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChIKey: JTDGKQNNPKXKII-UHFFFAOYSA-N
SMILES: C1(C(N)C)C=CC(OC)=CC=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (72.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (73.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H412 (72.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 6 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.