CAS 2623-91-8 D-Alpha-aminobutyric acid (HCID 439691)

이름 및 식별자

우선 이름: D-Alpha-aminobutyric acid
IUPAC: (2R)-2-aminobutanoic acid
영어명: D-2-Aminobutyric acid
분자식: C4H9NO2
분자량: 103.12

이름 및 동의어

2623-91-8D-(-)-2-Aminobutyric acidD-alpha-aminobutyric acidButanoic acid, 2-amino-, (2R)-D-Butyrine(r)-2-aminobutyric acidD-EthylglycineD-2-Aminobuttersaeure(2R)-2-aminobutyric acidEINECS 220-084-4CHEBI:28797DTXSID701314996

이름 더 보기

R-AMINOBUTYRIC ACIDH-D-Aib-OHD-2-AbuH-D-2-ABU-OHH-D-ABU(2)-OH

RefChem:581608DTXCID201744914220-084-4D-2-Aminobutyric acid(R)-2-Aminobutanoic acidH-D-Abu-OH(2R)-2-aminobutanoic acid(R)-(-)-2-Aminobutyric acid

데이터베이스 식별자

CAS: 2623-91-8
PubChem CID: 439691
DTXSID: DTXSID701314996
ChEMBL: CHEMBL553426
ChEBI: CHEBI:28797
UNII: G9ZRL3F2M6
EC Number: 220-084-4
Nikkaji: J1.815E

물성

구조 계산 물성

XLogP: -2.5
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 72

실험 및 물리화학적 성질

Solubility278 mg/mL

Physical DescriptionSolid

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 215.2 · 215.2±23.0 °C(Predicted)
밀도: 1.23 · 1.2300 (estimate)
굴절률: 1.465 · 1.4650 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 쉽게 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 2.34 · 2.34±0.10(Predicted)
색상: 하얀색
수용성: 녹는
BRN: 1720934 · 1720934
주요 응용: 펩타이드 합성
InChI: 1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey: QWCKQJZIFLGMSD-GSVOUGTGSA-N
SMILES: CC[C@@H](N)C(O)=O
LogP: -0.064 · -0.064 (est)

화학적 성질

WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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

Regulatory InformationButanoic acid, 2-amino-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

규제 정보

Regulatory InformationButanoic acid, 2-amino-, (2R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.