3-Tyrosine, DL-

HCID 13052

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 775-06-4
표준 SMILES: NC(Cc1cccc(O)c1)C(=O)O
InChIKey: JZKXXXDKRQWDET-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: 3-Tyrosine, DL-
IUPAC: 2-amino-3-(3-hydroxyphenyl)propanoic acid
영어명: 3-(3-Hydroxyphenyl)-DL-alanine
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

DL-m-Tyrosine775-06-4m-Tyrosine, DL-D,L-Metatyrosine3-tyrosine dl-3-(m-Hydroxyphenyl)-DL-alanineNSC 89304EINECS 212-270-945KGG1D4BIBRN 2416853NSC-893043-TYROSINE, DL-

이름 더 보기

M-TYROSINE2-amino-3-(3-hydroxyphenyl)propanoic acidD, L-M-TYRDL-3-OH-Phe-m-TyrosineDL-3-TYROSINEDL-Phe(3-OH)-OH

DTXSID6010198104-14-00-02259 (Beilstein Handbook Reference)NSC89304RefChem:505498DL-3-HYDROXYPHENYLALANINEDTXCID10819403212-270-93-(3-Hydroxyphenyl)-DL-alanine

데이터베이스 식별자

CAS: 775-06-4
PubChem CID: 13052
DTXSID: DTXSID601019810
ChEMBL: CHEMBL322125
ChEBI: CHEBI:195592
UNII: 45KGG1D4BI
EC Number: 212-270-9
Nikkaji: J2.370.462E

물성

구조 계산 물성

XLogP: -2.4
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 280 · 280-285 °C (dec.) (lit.)
끓는 점: 314.29 °C · 314.29°C (rough estimate)
밀도: 1.2375 · 1.2375 (rough estimate)
굴절률: 1.527 · 1.5270 (estimate)
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
용해도: 1 M · 1M HCl에 용해됩니다.
산도 계수 (pKa): 2.2 · 2.20±0.10(Predicted)
물리적 상태: 수정 같은
색상: 흰색에서 황백색까지
Merck: 14 · 14,9839
BRN: 2416853 · 2416853
주요 응용: 발각
InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey: JZKXXXDKRQWDET-QMMMGPOBSA-N
SMILES: C(O)(=O)[C@H](CC1=CC=CC(O)=C1)N

화학적 성질

White crystals powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (98.2%)

안전 데이터

wgk: 3
rtecs: YP2278000
HS 번호: 29225090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-(3-Hydroxyphenyl)-DL-alanine is used as a food and feed additive. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

상·하류 제품 정보

상류 원료

에틸알코올 3-(3-하이드록시페닐)프로피온산 디에틸에테르 브롬 삼브롬화인 암모니아(가스)

하류 제품

3-Ethyl 2-Methyl 6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

화합물 노트

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