(-)-2-Aminobutyric acid

HCID 80283

기본 정보

CAS: 1492-24-6
표준 SMILES: CC[C@H](N)C(=O)O
InChIKey: QWCKQJZIFLGMSD-VKHMYHEASA-N
분자식: C4H9NO2
평균 분자량: 103.12 g/mol
단동위원소 질량: 103.06332853

개요

L-alpha-aminobutyric acid is an optically active form of alpha-aminobutyric acid having L-configuration. It has a role as a human metabolite. It is an alpha-aminobutyric acid and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a L-2-aminobutyrate. It is an enantiomer of a D-alpha-aminobutyric acid. It is a tautomer of a L-alpha-aminobutyrate zwitterion.

이름 및 식별자

우선 이름: (-)-2-Aminobutyric acid
IUPAC: (2S)-2-aminobutanoic acid
영어명: L(+)-2-Aminobutyric acid
분자식: C4H9NO2
분자량: 103.12

이름 및 동의어

Butanoic acid, 2-amino-, (2S)-(-)-2-Aminobutyric acidRefChem:3909181492-24-6L-2-Aminobutyric acid(S)-2-Aminobutanoic acid(2S)-2-aminobutanoic acidh-abu-ohL-alpha-Aminobutyric acidL-(+)-2-aminobutyric acidL-Butyrine(S)-(+)-2-Aminobutyric Acid

이름 더 보기

AMINOBUTYRIC ACID2-AMINOBUTANOIC ACIDL-ABUL-2-AMINOBUTANOIC ACIDL-2-AMINO-N-BUTYRIC ACIDL-2-Abu

l-aminobutyric acid(S)-2-Amino-butyric acid(S)-2-Aminobutyric acidL-alpha-Amino-n-butyric acidMFCD00064415h-2-abu-ohL-alpha-Aminobutyrate2S-amino-butanoic acid

데이터베이스 식별자

CAS: 1492-24-6
PubChem CID: 80283
DTXSID: DTXSID10883684
ChEMBL: CHEMBL1230782
ChEBI: CHEBI:35619
UNII: 0QAJ5KN9IM
EC Number: 216-083-3
Nikkaji: J7.749F

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: 72.1

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]

LogP-3.17

Melting Point291 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 300 °C · 300 °C
끓는 점: 215.2 · 215.2±23.0 °C(Predicted)
밀도: 1.23 · 1.2300 (estimate)
굴절률: 1.465 · 1.4650 (estimate)
저장 조건: room temp
용해도: 22.7 g/100mL · 22.7g/100mL(22°C)
산도 계수 (pKa): 2.29 · 2.29(at 25℃)
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색
생물학적 소스: Porcine kidneymicrobialplant
수용성: 22.7 g/100mL · 22.7g/100mL(22ºC)
Merck: 14 · 14,428
BRN: 1720935 · 1720935
주요 응용: 펩타이드 합성
InChI: 1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey: QWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES: CC[C@H](N)C(O)=O
NIST: -2 · (l)-2-Aminobutanoic acid(1492-24-6)
EPA: 2 · Butanoic acid, 2-amino-, (2S)- (1492-24-6)

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (96.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (96.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29224999
risk_code: 43
hazard_code: Xi
safety_code: 36/37
위험 참고 사항: Irritant
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsKidney

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing InformationButanoic acid, 2-amino-, (2S)-: ACTIVE

응용 분야

일반 설명L-2-Aminobutyric acid is synthesized from L-threonine and L-aspartic acid through a -transamination reaction. It is an L-alanine analogue with an ethyl side chain.