L-페닐알라니놀

phenylalaninol, (S)-

HCID 447213CAS 3182-95-4

기본 정보

표준 SMILES: N[C@H](CO)Cc1ccccc1
InChIKey: STVVMTBJNDTZBF-VIFPVBQESA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

개요

L-phenylalaninol is an amino alcohol resulting from the formal reduction of the carboxy group of L-phenylalanine to the corresponding alcohol. It is a primary alcohol, an amino alcohol, a member of amphetamines and a primary amino compound.

이름 및 식별자

우선 이름: phenylalaninol, (S)-
IUPAC: (2S)-2-amino-3-phenylpropan-1-ol
현지명: L-페닐알라니놀
영어명: L-Phenylglycinol
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

PHENYLALANINOL, (S)-RefChem:861709L-Phenylalaninol3182-95-4Phenylalaninol(S)-2-amino-3-phenylpropan-1-olH-Phenylalaninol(2S)-2-amino-3-phenylpropan-1-ol(S)-(-)-2-Amino-3-phenyl-1-propanol(S)-2-Amino-3-phenyl-1-propanol(s)-phenylalaninolS-Phenylalaninol

이름 더 보기

L-페닐알라니놀L(-)-2-AMINO-3-PHENYL-1-PROPANOLH-PHE-OLL-PHENYLALAINOLL-PHE-OLH-L-PHE-OL

l-(-)-phenylalaninolL-2-Amino-3-phenyl-1-propanolMFCD00004732(s)-(-)-phenylalaninol(S)-2-Benzylethanolamine(S)-beta-Aminobenzenepropanoll-phenyl alaninol9GE9QOP0ET

데이터베이스 식별자

CAS: 3182-95-4
PubChem CID: 447213
DTXSID: DTXSID001025528
ChEMBL: CHEMBL1235287
ChEBI: CHEBI:45086
UNII: 9GE9QOP0ET
EC Number: 221-674-4
Nikkaji: J50.948E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 99.7

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Collision Cross Section128.33 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 92 · 92-94 °C(lit.)
끓는 점: 273.23 °C · 273.23°C (rough estimate)
밀도: 1.0406 · 1.0406 (rough estimate)
굴절률: -24.5 ° · -24.5 ° (C=5, EtOH)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 에틸 아세테이트, 에탄올 및 메탄올에 용해됩니다.
산도 계수 (pKa): 12.85 · 12.85±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 밝은 노란색
BRN: 2208238 · 2208238
InChI: 1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKey: STVVMTBJNDTZBF-VIFPVBQESA-N
SMILES: N[C@H](CO)Cc1ccccc1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationBenzenepropanol, .beta.-amino-, (.beta.S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (97.9%)

안전 데이터

wgk: 3
rtecs: UA6900000
ridadr: UN 3259 8/PG 3
HS 번호: 29221980
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-24/25-27
포장분류: Ⅲ
위험 등급: 8
F 고인화성물질: 10-23
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Enantiomer of L-Phenylalaninol, an inhibitor of intestinal Phenylalanine absorption.

일반 설명(S)-(-)-2-Amino-3-phenyl-1-propanol is a chiral amino alcohol.

상·하류 제품 정보

하류 제품

(S)-2-벤질아미노-3-페닐-1-프로판올 N-Boc-L-Phenylalaninol 2,6-비스[(4S)-벤질-2-옥사졸린-2-일]피리딘 (S)-4-벤질-1,3-티아졸리딘-2-티온 TMC-58B (S)-(+)-2-Dibenzylamino-3-phenyl-1-propanol Acetamide, 2-chloro-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-

공급사50 곳

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