(S)-(+)-3,3-디메틸-2-부틸아민

(2S)-3,3-dimethylbutan-2-amine

HCID 7004913CAS 22526-47-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@H](N)C(C)(C)C
InChIKey: DXSUORGKJZADET-YFKPBYRVSA-N
분자식: C6H15N
평균 분자량: 101.19 g/mol
단동위원소 질량: 101.12044948

이름 및 식별자

우선 이름: (2S)-3,3-dimethylbutan-2-amine
IUPAC: (2S)-3,3-dimethylbutan-2-amine
현지명: (S)-(+)-3,3-디메틸-2-부틸아민
영어명: (S)-(+)-3,3-Dimethyl-2-butylamine
분자식: C6H15N
분자량: 101.19

이름 및 동의어

(2S)-3,3-dimethylbutan-2-amineRefChem:398494(+)-2-Amino-3,3-dimethylbutane627-009-822526-47-2(S)-(+)-3,3-Dimethyl-2-butylamine(S)-3,3-dimethylbutan-2-amine(S)-3,3-Dimethyl-2-butylamine(S)-3,3-Dimethyl-2-aminobutaneMFCD006716442-Butanamine, 3,3-dimethyl-, (2S)-DTXSID10426479

이름 더 보기

(S)-(+)-3,3-디메틸-2-부틸아민(S)-(-)-3,3-DIMETHYL 2-AMINOBUTANE(S)-(+)-3,3-DiMethyl-2-butylaMine 97%(S)-(+)-3,3-Dimethyl-2-butylamine, ChiPros

AKOS015841165D83289SCHEMBL353937SCHEMBL2430204SCHEMBL15575846(S)-1,2,2-trimethylpropylamine(s)-2-amino-3,3-dimethylbutane(1S)-1,2,2-trimethylpropylamine

데이터베이스 식별자

CAS: 22526-47-2
PubChem CID: 7004913
DTXSID: DTXSID10426479
EC Number: 627-009-8
Nikkaji: J60.668E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 51

물리화학적 성질

녹는점: -4 °C · -4°C
끓는 점: 103 °C · 103°C
밀도: 0.743 g/mL · 0.743 g/mL at 25 °C
굴절률: 1.4126 · 1.4126
인화점: 2 °C · 2°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올
물리적 상태: 기름
산도 계수 (pKa): 10.86 · 10.86±0.13(Predicted)
색상: 투명 무색
BRN: 4652328 · 4652328
InChI: 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
InChIKey: DXSUORGKJZADET-YFKPBYRVSA-N
SMILES: C[C@H](N)C(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H412 (90.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (90.9%)；Skin Corr. 1B (100%)；Aquatic Chronic 3 (90.9%)

안전 데이터

wgk: 2
ridadr: 2734
risk_code: 11-34-22-52/53
hazard_code: F,C
safety_code: 26-36/37/39-45-16-61
포장분류: II
위험 등급: 3
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도(S)-(+)-3,3-Dimethyl-2-butylamine may be used in the preparation of:methyl 3′-{[(2S-3,3-dimethylbutan-2-yl]carbamoyl]-2,2′-binaphthalene-3-carboxylateN,N-(S)-bis(diphenylphosphanyl)-3,3-dimethyl-2-butylamine