2-Amino-3,3-dimethylbutanoic acid

HCID 306131CAS 20859-02-3

기본 정보

표준 SMILES: CC(C)(C)C(N)C(=O)O
InChIKey: NPDBDJFLKKQMCM-UHFFFAOYSA-N
분자식: C6H13NO2
평균 분자량: 131.17 g/mol

개요

Tert-butylglycine is a glycine derivative that is glycine with a tertiary butyl group at position 2. It has a role as a metabolite.

이름 및 식별자

우선 이름: 2-Amino-3,3-dimethylbutanoic acid
IUPAC: 2-amino-3,3-dimethylbutanoic acid
영어명: DL-tert-Leucine
분자식: C6H13NO2
분자량: 131.17

이름 및 동의어

2-Amino-3,3-dimethylbutanoic acidtert-leucineDTXSID90197039471-50-12-Amino-3,3-dimethylbutyric acid2-AdbaRefChem:463563DTXCID10220353DL-tert-Leucine33105-81-6h-dl-tle-ohtert-butylglycine

이름 더 보기

(S)-TERT-LEUCINEH-TLE-OHL-T-LEUCINEL-TLEH-TBU-GLY-OHD-L-TleDL-Tle-OHT-LEUCINE

3-methylvalinedl-tert-butylglycinet-Butylglycine2-Amino-3,3-dimethyl-butyric acidMFCD00065933PS3VJY8XHIh-tbu-dl-gly-ohPseudoleucine

데이터베이스 식별자

CAS: 20859-02-3、33105-81-6、471-50-1
PubChem CID: 306131
DTXSID: DTXSID00308412
ChEBI: CHEBI:72770
UNII: PS3VJY8XHI
EC Number: 608-831-6
Nikkaji: J325.090C

물성

구조 계산 물성

XLogP: -1.8
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 115

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 242.49 °C · 242.49°C (rough estimate)
밀도: 1.0975 · 1.0975 (rough estimate)
굴절률: 1.424 · 1.4240 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 2 O: · H2O: 0.1 g/mL, 투명, 무색
산도 계수 (pKa): 2.39 · 2.39±0.12(Predicted)
물리적 상태: 고체
색상: White to off-white
수용성: 녹는
BRN: 1721823 · 1721823
주요 응용: 펩타이드 합성
InChI: InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
InChIKey: NPDBDJFLKKQMCM-UHFFFAOYSA-N
SMILES: C(O)(=O)C(C(C)(C)C)N

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/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.