CAS 5845-53-4 D-Leucine Methyl Ester Hydrochloride (HCID 11600782)

기본 정보

CAS: 5845-53-4
표준 SMILES: COC(=O)[C@H](N)CC(C)C.Cl
InChIKey: DODCBMODXGJOKD-FYZOBXCZSA-N
분자식: C7H16ClNO2
평균 분자량: 181.66 g/mol
단동위원소 질량: 181.0869564

이름 및 식별자

우선 이름: D-Leucine Methyl Ester Hydrochloride
IUPAC: methyl (2R)-2-amino-4-methylpentanoate;hydrochloride
영어명: D-Leucine methyl ester hydrochloride
분자식: C7H15NO2.ClH
분자량: 181.66

이름 및 동의어

D-Leucine Methyl Ester Hydrochloride5845-53-4(R)-Methyl 2-amino-4-methylpentanoate hydrochlorideH-D-Leu-OMe.HClMethyl D-leucinate hydrochlorideMFCD00066115D-LEUCINE METHYL ESTER HCLH-D-Leu-OMe inverted exclamation mark currencyHClmethyl (2R)-2-amino-4-methylpentanoate;hydrochlorideH-D-LEU-OME HCLH-D-Leu-OMe . HClD-Leucine, methyl ester, hydrochloride

이름 더 보기

H-D-Leu-OMeeu-OMe·HCLD-LEUCINE-OME HCLN-METHYL-D-LEUCINE HCLD-leucinate hydrochloride.D-leucine Methy ester hydrochlorideD-LeucineMethylEsterHydrochloride>

D-Leu-OCH3.HClmethyl (2R)-2-amino-4-methylpentanoate, chlorideSCHEMBL353346D-LeucineMethylEsterHydrochlorideDTXSID401372266FD3053AKOS015924127(D)-leucine methyl ester hydrochloride

데이터베이스 식별자

CAS: 5845-53-4
PubChem CID: 11600782
DTXSID: DTXSID401372266
EC Number: 864-009-9

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 112

물리화학적 성질

녹는점: 150 °C · 150 °C
굴절률: -14 ° · -14 ° (C=2, H2O)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 미색에서 흰색까지
수용성: 녹는
InChI: InChI=1/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/s3
InChIKey: DODCBMODXGJOKD-FYZOBXCZSA-N
SMILES: [C@@H](N)(CC(C)C)C(=O)OC.Cl |&1:0,r|

화학적 성질

white crystalline 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 (100%): 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 2 reports by companies from 2 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 (100%)

안전 데이터

HS 번호: 29224999
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도D-Leucine methyl ester hydrochloride is a protected form of D-Leucine (L330150). D-Leucine is an unnatural isomer of L-Leucine (L330110) that acts as an auto-inhibitor of lactic streptococci in culture. D-Leucine causes analgesia in humans and also exhibits inhibitory activity in bacterial cell cultures.