Neopentylamine (HCID 79882)

이름 및 식별자

우선 이름: Neopentylamine
IUPAC: 2,2-dimethylpropan-1-amine
현지명: 네오펜틸아민
영어명: Neopentylamine
분자식: C5H13N
분자량: 87.16

이름 및 동의어

Neopentylamine5813-64-92,2-Dimethyl-1-propylamineNSC-165660988C7435J3DTXSID4022232RefChem:832337DTXCID302232227-378-12,2-dimethylpropan-1-amine2,2-Dimethylpropylamine1-Propanamine, 2,2-dimethyl-

이름 더 보기

네오펜틸아민PIVALYLAMINENeopentylamine>NEOPENTYLAMINE HCLRARECHEM AL BW 0181NeopentylaMine, 97.0%(GC&T

MFCD000081341-Amino-2,2-dimethylpropaneneo-C5H11NH22,2-dimethyl-propylaminepropane, 1-amino-2,2-dimethyl-2,2-Dimethyl-1-propanamineEINECS 227-378-1NSC 165660

데이터베이스 식별자

CAS: 5813-64-9
PubChem CID: 79882
DTXSID: DTXSID4022232
UNII: 988C7435J3
EC Number: 227-378-1
Nikkaji: J150.003A

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: 33

물리화학적 성질

녹는점: -70 °C · -70°C (estimate)
끓는 점: 83 °C · 83°C
밀도: 0.745 · 0.745
굴절률: 1.403 · 1.403
인화점: -13 °C · -13°C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 10.15 · 10.15(at 25℃)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
InChI: InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N
SMILES: C(N)C(C)(C)C
NIST: Neopentylamine(5813-64-9)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；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 (97.8%)；Acute Tox. 4 (91.3%)；Skin Corr. 1B (97.8%)

안전 데이터

wgk: WGK 3
ridadr: 1106
HS 번호: 29211990
risk_code: 11-20/22-35-22
hazard_code: Xn
safety_code: 3-16-23-26-36/37/39
포장분류: II
위험 등급: 3/8
기존화학 물질: KE-05-0910
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Neopentylamine is an organic amine compound that can be used in alkylation and alkenylation reactions. It is also used in the study of reactions of low-energy isobutylamine and neopentylamine molecular ions, where the main reaction that can transfer the neopentylamine ion is the loss of the C4H7 radical.