(S)-(-)-N-벤질-1-페닐에틸아민

(S)-(-)-N-Benzyl-1-phenylethylamine

HCID 1268085CAS 17480-69-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@H](NCc1ccccc1)c1ccccc1
InChIKey: ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
분자식: C15H17N
평균 분자량: 211.3 g/mol
단동위원소 질량: 211.13609954

이름 및 식별자

우선 이름: (S)-(-)-N-Benzyl-1-phenylethylamine
IUPAC: (1S)-N-benzyl-1-phenylethanamine
현지명: (S)-(-)-N-벤질-1-페닐에틸아민
영어명: (S)-(-)-N-Benzyl-1-phenylethylamine
분자식: C15H17N
분자량: 211.3

이름 및 동의어

17480-69-2(S)-(-)-N-Benzyl-1-phenylethylamineDTXSID90361450RefChem:407718(-)-n-benzyl-1-phenylethylamineDTXCID60312499605-736-1S-(-)-N-Benzyl-1-phenylethylamine(S)-(-)-N-Benzyl-alpha-methylbenzylamine(S)-N-benzyl-1-phenylethanamine(1S)-N-benzyl-1-phenylethanamineMFCD00066325

이름 더 보기

(S)-(-)-N-벤질-1-페닐에틸아민(-)-α-Methyl-dibenzylaMinN-Benzyl-1-phenylethanamineS-Benzyl-α-methylbenzylamine(S)-N-Benzyl-α-phenethylamine)-N-Benzyl-α-MethylbenzylaMineBenzyl[(S)-α-methylbenzyl]amine

(1S)-N-Benzyl-1-phenyl-ethanamine(S)-N-benzyl-alpha-methylbenzylamine(s)-n-benzyl-1-phenylethylaminebenzyl[(1S)-1-phenylethyl]amine(R)-(+)-N-Benzyl-alpha-methylbenzylamine(S)-N-benzyl-1-phenylethan-1-amine(S)-(-)-N-Benzyl-|A-methylbenzylamineSCHEMBL774613

데이터베이스 식별자

CAS: 17480-69-2
PubChem CID: 1268085
DTXSID: DTXSID90361450
EC Number: 605-736-1
Nikkaji: J1.005.042A

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 178

물리화학적 성질

끓는 점: 171 °C15 · 171 °C15 mm Hg(lit.)
밀도: 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.563(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 8.79 · 8.79±0.19(Predicted)
색상: 무색~황색으로 투명함
Specific Gravity: 1.01 · 1.01
BRN: 3650264 · 3650264
InChI: 1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1
InChIKey: ZYZHMSJNPCYUTB-ZDUSSCGKSA-N
SMILES: C[C@H](NCc1ccccc1)c2ccccc2
NIST: (R)-(+)-n-benzyl-«alpha»-methylbenzylamine(17480-69-2)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
ridadr: 2735
HS 번호: 29214990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도(S)-()-N-Benzyl-α-methylbenzylamine can be used:In one of the key synthetic steps for the preparation of a cardioprotective drug named CP-060S.To prepare (1S,2S,3S,5R)-tert-butyl 3-[benzyl((S)-1-phenylethyl)amino]-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate, an intermediate used to synthesize pinane-based β- and γ-amino acids.To prepare urea derivatives as potent antimicrobial agents.