CAS 6852-58-0 2-Methyl-N-(phenylmethylene)-2-propanamine (HCID 111240)

이름 및 식별자

우선 이름: 2-Methyl-N-(phenylmethylene)-2-propanamine
IUPAC: N-tert-butyl-1-phenylmethanimine
영어명: 2-Methyl-N-(phenylmethylene)-2-propylamine
분자식: C11H15N
분자량: 161.24

이름 및 동의어

2-Methyl-N-(phenylmethylene)-2-propanamineRefChem:475910628-365-76852-58-0N-Benzylidene tert-butylamine2-Propanamine, 2-methyl-N-(phenylmethylene)-N-tert-butyl-1-phenylmethanimineN-TERT-BUTYLBENZIMINE2-Methyl-N-(phenylmethylene)-2-propylamineMFCD00043553N-benzylidene-t-butylamineEthylamine, N-benzylidene-1,1-dimethyl-

이름 더 보기

N-BENZYLIDENE-TERT-BUTYLAMINETIMTEC-BB SBB008132N-Benzylidene-N-tert-bN-tert-ButylbenzalimineTerbutaline Impurity 70N-tert-Butylbenzylimine 97%Benzylidene-tert-butylamine

(E)-N-tert-Butyl-1-phenylmethanimine75815-77-9(1E)-3,3-dimethyl-1-phenyl-2-azabut-1-ene[N(E)]-2-Methyl-N-(phenylmethylene)-2-propanamineN-tert-ButylbenzylideneamineN-Benzylidene-2-methyl-2-propanamineN-tert-ButylbenzylimineBenzylidene t-Butylamine

데이터베이스 식별자

CAS: 6852-58-0、75815-77-9
PubChem CID: 111240
DTXSID: DTXSID7064493
EC Number: 628-365-7
Nikkaji: J1.553.919D、J123.416A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: -30 · -30
끓는 점: 209 °C · 209 °C(lit.)
밀도: 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.52(lit.)
인화점: 173 °F · 173 °F
산도 계수 (pKa): 6.31 · 6.31±0.50(Predicted)
물리적 상태: 액체
색상: 무색~연황색
Specific Gravity: 0.906 · 0.906
InChI: 1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+
InChIKey: KFLSWDVYGSSZRX-FMIVXFBMSA-N
SMILES: CC(C)(C)\N=C\c1ccccc1
EPA: 2 · 2-Propanamine, 2-methyl-N-(phenylmethylene)- (6852-58-0)

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)；Carc. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29215900
risk_code: 22-36/37/38-40-42/43
hazard_code: Xn,Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propanamine, 2-methyl-N-(phenylmethylene)-: INACTIVE

응용 분야 · 1건

일반 설명In vitro metabolism of N-benzyl-tert-butylamine in male hamster hepatic microsomal preparations has been studied. Kinetic studies of frustrated Lewis pair (FLP)-catalyzed hydrogenation and deuteration of N-benzylidene-tert-butylamine suggests that the reaction proceeds via autoinductive catalysis.