기본 정보
- CAS
1883-09-6- 표준 SMILES
Cl.Cl.NCCC(N)C(=O)O- InChIKey
CKAAWCHIBBNLOJ-UHFFFAOYSA-N- 분자식
- C4H12Cl2N2O2
- 평균 분자량
- 191.05 g/mol
- 단동위원소 질량
- 190.027583
이름 및 식별자
- 우선 이름
- 2,4-Diaminobutyric acid dihydrochloride, (+-)-
- IUPAC
- 2,4-diaminobutanoic acid;dihydrochloride
- 영어명
- L-2,4-Diaminobutyric acid dihydrochloride
- 분자식
- C4H12Cl2N2O2
- 분자량
- 191.06
이름 및 동의어
RefChem:57133626889-08-72,4-Diaminobutyric acid dihydrochloride, (+-)-65427-54-5DL-2,4-Diaminobutyric acid dihydrochloride2,4-diaminobutanoic acid dihydrochlorideH-DL-Dab.2HClMFCD00012910Butanoic acid, 2,4-diamino-, dihydrochloride2,4-diaminobutyric acid dihydrochloride2,4-diaminobutanoic acid;dihydrochlorideDL-Dab.2HCl
이름 더 보기
H-Dab-OHL-2,4-Diaminobutyric acidH-L-Dab-OHH-DAB-OH HCLH-DAB-OH 2HCLL-Dab-OH·2HClH-Dab-OH.DCHAL-Daba-OH.2HClH-Daba-OH.2HClH-L-DAB-OH 2HCL
DL-Daba-OH.2HClM03239H-DL-DAB-OH.2HClH-D-Dab-OH hydrochloride saltButanoic acid, 2,4-diamino-, dihydrochloride (9CI); Butanoic acid, 2,4-diamino-, dihydrochloride, (+/-)-; 2,4-Diaminobutanoic acid dihydrochloride; 2,4-Diaminobutyric acid dihydrochloride; NSC 41117; dl-2,4-Diaminobutyric acid dihydrochlorideEINECS 265-774-6NSC 41117DL-DAB 2HCl
데이터베이스 식별자
- CAS
1883-09-6、65427-54-5- PubChem CID
- 2724329
- DTXSID
DTXSID50886770- EC Number
- 265-774-6
물성
구조 계산 물성
- 극성 표면적
- 89.3 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 84.1
물리화학적 성질
- 녹는점
- 197 · 197-200 °C (dec.)
- 굴절률
- 14.5 ° · 14.5 ° (C=3.6, H2O)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 0.5 g/10mL · 물: 용해성0.5g/10mL
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 거의 녹지 않음
- BRN
- 5763078 · 5763078
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H
- InChIKey
- CKAAWCHIBBNLOJ-UHFFFAOYSA-N
- SMILES
- C(N)(C(=O)O)CCN.Cl.Cl
화학적 성질
White Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (92.7%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (92.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29224999
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36/39-24/25
- F 고인화성물질
- 3-10
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationButanoic acid, 2,4-diamino-, hydrochloride (1:2): INACTIVE
응용 분야
용도L-2,4-Diaminobutyric Acid dihydrochloride is a pharmacological tool and potential chiral building block. 2,4-Diaminobutyric Acid is also used as an internal standard for amino acid analysis. 2,4-Diaminobutyric Acid i s also found to inhibit GABA transaminase, thus producing an elevation of GABA level, and to have an antitumor activity in vitro and in vivo against mouse fibrosarcoma cells.
일반 설명L-2,4-Diaminobutyric acid dihydrochloride is an unnatural amino acid derivative.
공급사100 곳
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