(S)-(+)-2-아미노-3-메틸부탄

1,2-Dimethylpropylamine, (S)-

HCID 6999788CAS 22526-46-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)[C@H](C)N
InChIKey: JOZZAIIGWFLONA-YFKPBYRVSA-N
분자식: C5H13N
평균 분자량: 87.16 g/mol
단동위원소 질량: 87.10479942

이름 및 식별자

우선 이름: 1,2-Dimethylpropylamine, (S)-
IUPAC: (2S)-3-methylbutan-2-amine
현지명: (S)-(+)-2-아미노-3-메틸부탄
영어명: (S)-(+)-2-Amino-3-methylbutane
분자식: C5H13N
분자량: 87.16

이름 및 동의어

22526-46-1(S)-(+)-2-Amino-3-methylbutane(S)-(+)-3-Methyl-2-butylamine(S)-3-methyl-2-butylamine(S)-3-Methylbutane-2-amine2-Butanamine, 3-methyl-, (2S)-32QJA2ZJ2A(s)-2-amino-3-methylbutane1,2-Dimethylpropylamine, (S)-3-Methyl-2-butylamine, (2S)-Propylamine, 1,2-dimethyl-, (S)-J60.644H

이름 더 보기

(S)-(+)-2-아미노-3-메틸부탄(S)-3-Methylbutan-2-aMine(2S)-3-METHYLBUT-2-YLAMINE(S)-(+)-3-Methyl-2-butylamine, ChiPros(S)-(+)-3-METHYL-2-BUTYLAMINE, CHIPROS 98+%, EE 99%

DTXSID80426446RefChem:411796DTXCID60377280627-253-5(2S)-3-methylbutan-2-amineUNII-32QJA2ZJ2AMFCD01075732(S)-1,2-dimethylpropylamine

데이터베이스 식별자

CAS: 22526-46-1
PubChem CID: 6999788
DTXSID: DTXSID80426446
UNII: 32QJA2ZJ2A
EC Number: 627-253-5
Nikkaji: J60.644H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 32

물리화학적 성질

끓는 점: 85 · 85-87°C
밀도: 0.746 g/mL · 0.746 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.405
인화점: 21 °C · <21°C
물리적 상태: liquid
산도 계수 (pKa): 10.8 · 10.80±0.10(Predicted)
BRN: 1718797 · 1718797
InChI: 1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m0/s1
InChIKey: JOZZAIIGWFLONA-YFKPBYRVSA-N
SMILES: CC(C)[C@H](C)N

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (90.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 (100%)；Acute Tox. 4 (90.7%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 2 (90.7%)

안전 데이터

wgk: 3
rtecs: UI1100000
ridadr: UN 2733 3/PG 2
risk_code: 11-20/21/22-35-51/53-34
hazard_code: F,C,N
safety_code: 26-36/37/39-45-61
포장분류: II
위험 등급: 3
F 고인화성물질: 10-34
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids