(R)-(+)-N-벤질-1-페닐에틸아민

(+)-Benzylphenethylamine

HCID 1268086

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38235-77-7
표준 SMILES: C[C@@H](NCc1ccccc1)c1ccccc1
InChIKey: ZYZHMSJNPCYUTB-CYBMUJFWSA-N
분자식: C15H17N
평균 분자량: 211.3 g/mol
단동위원소 질량: 211.13609954

이름 및 식별자

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

이름 및 동의어

(+)-benzylphenethylamineRefChem:39057438235-77-7(R)-(+)-N-Benzyl-1-phenylethylamine(r)-n-benzyl-1-phenylethanamine(1R)-N-benzyl-1-phenylethanamineBenzyl[(1R)-1-Phenylethyl]Amine((1R)-1-Phenylethyl)benzylamineMFCD00015010(R)-(+)-N-Benzyl-alpha-methylbenzylamineR-(+)-N-Benzyl-1-phenylethylamine(r)-n-benzyl-1-phenylethylamine

이름 더 보기

(R)-(+)-N-벤질-1-페닐에틸아민R-Benzyl-α-methylbenzylamine(1R)-N-benzyl-1-phenyl-ethanamine(R)-N-(alpha-methylbenzyl)-N-benzylamine(R)-(+)-N-Benzyl-R(+)-N-benzyl-a-phen

(R)-N-benzyl-1-phenylethan-1-amineR)-(+)-N-Benzyl-1-phenylethylamineAKOS005259291CS-W020689(1R)-N-benzyl-1-phenyl-1-ethanamineHY-41390EN300-193395Benzyl-(1-phenyl-ethyl)-amine

데이터베이스 식별자

CAS: 38235-77-7
PubChem CID: 1268086
DTXSID: DTXSID50361451
EC Number: 609-537-0
Nikkaji: J61.103D

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

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 111 · 111-114°C
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 1.564(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 8.79 · 8.79±0.19(Predicted)
색상: 투명 무색 ~ 담황색
Specific Gravity: 1.01 · 1.01
BRN: 3589990 · 3589990
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-/m1/s1
InChIKey: ZYZHMSJNPCYUTB-CYBMUJFWSA-N
SMILES: C[C@@H](NCc1ccccc1)c2ccccc2
NIST: (+)-N-benzyl-«alpha»-phenethylamine(38235-77-7)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90%): 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90%)

안전 데이터

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

화학 및 산업

응용 분야 · 1건

용도(R)-(+)-N-Benzyl-α-methylbenzylamine may be used to prepare:tert-Butyl (3S)-3-{benzyl[(1R)-1-phenylethyl]amino}-3-(6-methoxypyridin-3-yl)propanoate, an intermediate for the synthesis of the Merck & Co. Inc., Kenilworth, NJ, U.S. αvβ3 integrin antagonist.A conformationally restricted piperidine-based analog of deoxynegamycin.5- and 6-[2,3]-dihydrobenzofuran β-amino acids, which can act as aspartic acid mimetics.