(S)-(-)-1-(4-메톡시페닐)에틸아민

(S)-1-(4-Methoxyphenyl)ethylamine

HCID 793467

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41851-59-6
표준 SMILES: COc1ccc([C@H](C)N)cc1
InChIKey: JTDGKQNNPKXKII-ZETCQYMHSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: (S)-1-(4-Methoxyphenyl)ethylamine
IUPAC: (1S)-1-(4-methoxyphenyl)ethanamine
현지명: (S)-(-)-1-(4-메톡시페닐)에틸아민
영어명: (S)-(-)-1-(4-Methoxyphenyl)ethylamine
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

(S)-1-(4-Methoxyphenyl)ethylamine(alphaS)-4-Methoxy-alpha-methylbenzenemethanamineRefChem:407781609-962-141851-59-6(S)-(-)-1-(4-Methoxyphenyl)ethylamine(s)-1-(4-methoxyphenyl)ethanamine(1s)-1-(4-methoxyphenyl)ethanamine(S)-1-(4-Methoxy-phenyl)-ethylamineMFCD00671660(1S)-1-(4-methoxyphenyl)ethan-1-amine(-)-[(S)-1-(4-Methoxyphenyl)ethyl]amine

이름 더 보기

(S)-(-)-1-(4-메톡시페닐)에틸아민(S)-1-(4-METHOEthyl Acetate Impurity 83S-P-METHOXYPHENYLETHYLAMINE(s)-p-methoxy-ethylbenzylamineS(-)-1-(4-Methoxyphenyl)EthylaS - the Methoxy phenethylaMineS-1-(P-METHOXYPHENYL)ETHYLAMINE

(1S)-1-(4-methoxyphenyl)ethylamines-(-)-1-(4-methoxyphenyl)ethylamineEN300-112624[(1S)-1-[4-(Methyloxy)phenyl]ethyl]amine{(1S)-1-[4-(methyloxy)phenyl]ethyl}amine(S)-1-(4-methoxyphenyl)ethan-1-amineUNII-6GC7UU4LDVEC 609-962-1

데이터베이스 식별자

CAS: 41851-59-6、6298-96-0
PubChem CID: 793467
DTXSID: DTXSID00355183
UNII: BDP7534CFN
EC Number: 609-962-1
Nikkaji: J57.086I

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

녹는점: -20 °C · <-20°C
끓는 점: 65 °C · 65°C 0,38mm
밀도: 1.024 g/mL · 1.024 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.533
인화점: 65 °C/0.38mm · 65°C/0.38mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.29 · 9.29±0.10(Predicted)
색상: Colorless to Light yellow to Light orange
BRN: 3196456 · 3196456
InChI: 1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1
InChIKey: JTDGKQNNPKXKII-ZETCQYMHSA-N
SMILES: COc1ccc(cc1)[C@H](C)N

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (72.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 155 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 22-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10727

Hazard Classes and CategoriesAcute Tox. 4 (72.3%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 29214200
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도(S)-()-4-Methoxy-α-methylbenzylamine is employed in the synthesis of S(+)-4-(1-phenylethylamino)quinazolines, as human immunoglobuline E inhibitor and haloaryl-β-amino acids. It is also used as a precursor to prepare chiral intermediate in the total synthesis of solanoeclepin A.