(2R)-2-Amino-3,3-dimethylbutan-1-ol

HCID 6932847CAS 112245-09-7

기본 정보

표준 SMILES: CC(C)(C)[C@@H](N)CO
InChIKey: JBULSURVMXPBNA-YFKPBYRVSA-N
분자식: C6H15NO
평균 분자량: 117.19 g/mol
단동위원소 질량: 117.1153641

이름 및 식별자

우선 이름: (2R)-2-Amino-3,3-dimethylbutan-1-ol
IUPAC: (2R)-2-amino-3,3-dimethylbutan-1-ol
영어명: (R)-TERT-LEUCINOL
분자식: C6H15NO
분자량: 117.19

이름 및 동의어

(2R)-2-amino-3,3-dimethylbutan-1-olRefChem:397128634-525-7112245-09-7(R)-TERT-LEUCINOLD-tert-Leucinol(R)-2-Amino-3,3-dimethylbutan-1-ol(R)-(-)-tert-LeucinolMFCD01076574H-D-Tle-olr-t-leucinol(R)-2-Amino-3,3-dimethyl-1-butanol

이름 더 보기

D-T-LEUCINOLH-D-(TBU)GLY-OLD-T-BUTYLGLYCINOLD-ALPHA-T-BUTYLGLYCINOLD-tert-Leucinol,99%e.e.

1-Butanol, 2-amino-3,3-dimethyl-, (2R)-SCHEMBL754075AKOS015841170GS-3727EN300-1721713(R)-2-Amino-3,3-dimethyl-1-butanol, 98%, 99% ee(2R)-2-amino-3,3-dimethyl-1-butanolA802520

데이터베이스 식별자

CAS: 112245-09-7
PubChem CID: 6932847
DTXSID: DTXSID60426146
EC Number: 634-525-7
Nikkaji: J1.052.699J

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 65

물리화학적 성질

녹는점: 30 · 30-33 °C(lit.)
끓는 점: 70 °C0.4 · 70 °C0.4 mm Hg(lit.)
밀도: 0.9 g/mL · 0.9 g/mL at 25 °C(lit.)
인화점: 194 °F · 194 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 액체
산도 계수 (pKa): 12.88 · 12.88±0.10(Predicted)
색상: 무색~황색
주요 응용: 펩타이드 합성
InChI: InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m0/s1
InChIKey: JBULSURVMXPBNA-YFKPBYRVSA-N
SMILES: C(O)[C@H](N)C(C)(C)C

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 45 reports by companies from 7 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. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2922190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(R)-Tert-leucinol (H-D-Tle-ol) is a chiral molecular compound with optical activity and its enantiomeric form is (S)-tert-leucinol. (R)-Tert-leucinol belongs to the class of α-amino alcohols, which have certain biological activities and are potent reversible inhibitors of protein synthesis. (R)-Tert-leucinol can be used as a chiral ligand for asymmetric catalytic reactions. Its derivatives are also used as optical splitting reagents, for peptidyl alcohol synthesis in peptide drugs, and as inhibitors of protein hydrolysis.

상·하류 제품 정보

상류 원료

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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