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1-Amino-1-cyclopropanecarbonitrile hydrochloride
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Name

1-Amino-1-cyclopropanecarbonitrile hydrochloride

 EINECS N/A
CAS No. 127946-77-4 Density 1.244 at 20℃
PSA 49.81000 LogP 1.50358
Solubility Soluble in water Melting Point 223 °C
Formula C4H7ClN2 Boiling Point 217.6 °C at 760 mmHg
Molecular Weight 118.566 Flash Point 85.4 °C
Transport Information UN 3439 6.1/PG 3 Appearance White powder
Safety 26-36/37-45 Risk Codes 25-36-43
Molecular Structure Molecular Structure of 127946-77-4 (1-Amino-1-cyclopropanecarbonitrile hydrochloride) Hazard Symbols T
Synonyms

Cyclopropanecarbonitrile,1-amino-, monohydrochloride (9CI);1-Cyanocyclopropanamine hydrochloride;

Article Data 14

1-Amino-1-cyclopropanecarbonitrile hydrochloride Synthetic route

89985-88-6

1-<(Diphenylmethylene)-amino>-1-cyclopropanecarbonitrile

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

Conditions
ConditionsYield
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-nitro-1-cyclopropanenitrile

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

Conditions
ConditionsYield
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%

N,N-diphenylsulfonylaminocyclopropyl nitrile

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 50℃;97%

N-benzenesulfonylaminocyclopropyl nitrile

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 50℃;75%
127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

501-53-1

benzyl chloroformate

benzyl (1-cyanocyclopropyl)carbamate

Conditions
ConditionsYield
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%
127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

68781-13-5

α-amino-cyclopropanecarboxylic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride for 4h; Heating;98%
With hydrogenchloride; water for 7h; Heating / reflux;
13734-34-4

N-tert-butoxycarbonyl-L-phenylalanine

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

191033-19-9

(S)-tert-butyl (1-((1-cyanocyclopropyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate

Conditions
ConditionsYield
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%
1072129-90-8

(1R,2R)-5,5-dichloro-2-[4-[4-(methylsulfonyl)phenyl]-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]cyclohexanecarboxylic acid

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

(1R,2R)-5,5-dichloro-N-(1-cyanocyclopropyl)-2-[4-[4-(methylsulfonyl)phenyl]-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 48h;96%

C14H16BrF4NO2*C12H23N

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

603141-85-1

N2-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N1-(1-cyanocyclopropyl)-4-fluoro-L-leucinamide

Conditions
ConditionsYield
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%
1447710-51-1

(S)-3-(4-(allyloxy)-3-chlorophenyl)-2-(tert-butoxycarbonylamino)propanoic acid

127946-77-4

1-amino-1-cyclopropanecarbonitrile hydrochloride

[(S)-2-(4-allyloxy-3-chloro-phenyl)-1-(1-cyano-cyclopropylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 25℃; for 16h;95%

1-Amino-1-cyclopropanecarbonitrile hydrochloride Specification

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

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