(1S,2S)-(+)-2-아미노-1-페닐-1,3-프로판디올

(S(R*,R*))-2-amino-1-phenylpropane-1,3-diol

HCID 119881

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28143-91-1
표준 SMILES: N[C@@H](CO)[C@@H](O)c1ccccc1
InChIKey: JUCGVCVPNPBJIG-IUCAKERBSA-N
분자식: C9H13NO2
평균 분자량: 167.2 g/mol

이름 및 식별자

우선 이름: (S(R*,R*))-2-amino-1-phenylpropane-1,3-diol
IUPAC: (1S,2S)-2-amino-1-phenylpropane-1,3-diol
현지명: (1S,2S)-(+)-2-아미노-1-페닐-1,3-프로판디올
영어명: (1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol
분자식: C9H13NO2
분자량: 167.21

이름 및 동의어

(1S,2S)-2-amino-1-phenyl-1,3-propanediolEINECS 248-867-6(S(R*,R*))-2-Amino-1-phenylpropane-1,3-diol[S(R*,R*)]-2-amino-1-phenylpropane-1,3-diolRefChem:407565248-867-6(1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol28143-91-1(1s,2s)-2-amino-1-phenylpropane-1,3-diolMFCD00004503(1S,2S)-2-amino-1-phenyl-propane-1,3-diolL-(+)-threo-2-Amino-1-phenyl-1,3-propanediol

이름 더 보기

(1S,2S)-(+)-2-아미노-1-페닐-1,3-프로판디올(1S,2S)-(+)-2-아미노-1-페닐-1,3-프로판디올((1S,2S)-(+)-2-AMINO-1-PHENY...LBSS-BASEL-amino diolLevo-Amin-odiolLB human cell line(2S,3R)-PHENYLSERINOL(1S,2S)-Phenylserinol(2S,3S)-3-PHENYLSERINOL(1S,2S)-(+)-2-Amino-1-phenyl-1L-threo-1-Phenyl-2-aMino-1,3-propaned

1,3-Propanediol, 2-amino-1-phenyl-, (1S,2S)-L-threo-1-Phenyl-2-amino-1,3-propanediolSCHEMBL145000(1S, 2S)-(+)-2-Amino-1-phenyl-1,3-propanediolDTXSID40950893DTXSID901368763AKOS015854215FA37317

데이터베이스 식별자

CAS: 28143-91-1、55057-81-3
PubChem CID: 119881
DTXSID: DTXSID40950893
EC Number: 248-867-6、611-225-4
Nikkaji: J207.944E

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 66.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 109 · 109-113 °C (lit.)
끓는 점: 295.79 °C · 295.79°C (rough estimate)
밀도: 1.1222 · 1.1222 (rough estimate)
굴절률: 26.5 ° · 26.5 ° (C=1, MeOH)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 11.73 · 11.73±0.45(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 흰색에서 노란색으로
생물학적 소스: human blood
BRN: 2804071 · 2804071
InChI: InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m0/s1
InChIKey: JUCGVCVPNPBJIG-IUCAKERBSA-N
SMILES: [C@@H](C1=CC=CC=C1)(O)[C@@H](N)CO

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29221985
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
기존화학 물질: KE-01556
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol is a compound belonging to the chiral amino alchohol group which are used as emulsifying agents in dry-cleaning soaps, wax removers, cosmetics, paints and insecticides. (1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol is used in the preparation of potential anticancer agents