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CAS No.: | 127946-77-4 |
---|---|
Name: | 1-Amino-1-cyclopropanecarbonitrile hydrochloride |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H7ClN2 |
Molecular Weight: | 118.566 |
Synonyms: | Cyclopropanecarbonitrile,1-amino-, monohydrochloride (9CI);1-Cyanocyclopropanamine hydrochloride; |
Density: | 1.244 at 20℃ |
Melting Point: | 223 °C |
Boiling Point: | 217.6 °C at 760 mmHg |
Flash Point: | 85.4 °C |
Solubility: | Soluble in water |
Appearance: | White powder |
Hazard Symbols: | T |
Risk Codes: | 25-36-43 |
Safety: | 26-36/37-45 |
Transport Information: | UN 3439 6.1/PG 3 |
PSA: | 49.81000 |
LogP: | 1.50358 |
1-<(Diphenylmethylene)-amino>-1-cyclopropanecarbonitrile
1-amino-1-cyclopropanecarbonitrile hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether at 18℃; for 15h; | 100% |
With hydrogenchloride In diethyl ether for 16h; Ambient temperature; | 96% |
With hydrogenchloride for 14h; | 66% |
1-amino-1-cyclopropanecarbonitrile hydrochloride
Conditions | Yield |
---|---|
Stage #1: 1-nitro-1-cyclopropanenitrile With palladium 10% on activated carbon; hydrogen In methanol at 20℃; Inert atmosphere; Stage #2: With hydrogenchloride at 0℃; Solvent; | 97.4% |
1-amino-1-cyclopropanecarbonitrile hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water at 50℃; | 97% |
1-amino-1-cyclopropanecarbonitrile hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water at 50℃; | 75% |
1-amino-1-cyclopropanecarbonitrile hydrochloride
benzyl chloroformate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In tetrahydrofuran; water at 0 - 20℃; for 60h; | 100% |
With sodium hydrogencarbonate In 2-methyltetrahydrofuran; water at 20 - 25℃; for 1h; | 85% |
1-amino-1-cyclopropanecarbonitrile hydrochloride
α-amino-cyclopropanecarboxylic acid hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride for 4h; Heating; | 98% |
With hydrogenchloride; water for 7h; Heating / reflux; |
N-tert-butoxycarbonyl-L-phenylalanine
1-amino-1-cyclopropanecarbonitrile hydrochloride
(S)-tert-butyl (1-((1-cyanocyclopropyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 22℃; Inert atmosphere; | 98% |
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere; | 92% |
(1R,2R)-5,5-dichloro-2-[4-[4-(methylsulfonyl)phenyl]-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]cyclohexanecarboxylic acid
1-amino-1-cyclopropanecarbonitrile hydrochloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 48h; | 96% |
1-amino-1-cyclopropanecarbonitrile hydrochloride
N2-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N1-(1-cyanocyclopropyl)-4-fluoro-L-leucinamide
Conditions | Yield |
---|---|
With dmap; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 22℃; for 4.5h; Solvent; Reagent/catalyst; Temperature; | 96% |
(S)-3-(4-(allyloxy)-3-chlorophenyl)-2-(tert-butoxycarbonylamino)propanoic acid
1-amino-1-cyclopropanecarbonitrile hydrochloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 25℃; for 16h; | 95% |
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The 1-Amino-1-cyclopropanecarbonitrile hydrochloride, with the CAS registry number 127946-77-4, is also known as Cyclopropanecarbonitrile,1-amino-, hydrochloride (1:1). This chemical's molecular formula is C4H7ClN2 and molecular weight is 118.56. What's more, both its IUPAC name and systematic name are the same which is called 1-Aminocyclopropane-1-carbonitrile hydrochloride. It should be stored in a sealed place at 0-5 °C.
Physical properties about 1-Amino-1-cyclopropanecarbonitrile hydrochloride are: (1)ACD/BCF (pH 5.5): 1.00; (2)ACD/BCF (pH 7.4): 1.00; (3)ACD/KOC (pH 5.5): 4.38; (4)ACD/KOC (pH 7.4): 4.42; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 49.81 Å2; (9)Flash Point: 85.4 °C; (10)Enthalpy of Vaporization: 46.33 kJ/mol; (11)Boiling Point: 217.6 °C at 760 mmHg; (12)Vapour Pressure: 0.108 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N#CC1(N)CC1
(2) InChI: InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H
(3) InChIKey: PCEIEQLJYDMRFZ-UHFFFAOYSA-N