CAS 1074-63-1 3-(Cyclopentylamino)propionitrile (HCID 2758002)

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Basic information

CAS: 1074-63-1
Standard SMILES: N#CCCNC1CCCC1
InChIKey: YHGZCPAPXDXHCY-UHFFFAOYSA-N
Molecular formula: C8H14N2
Average molar mass: 138.21 g/mol
Monoisotopic mass: 138.11569846

Names & identifiers

Preferred name: 3-(Cyclopentylamino)propionitrile
IUPAC: 3-(cyclopentylamino)propanenitrile
English name: 3-(Cyclopentylamino)propionitrile
Molecular formula: C8H14N2
Molecular weight: 138.21

Names & synonyms

3-(Cyclopentylamino)propionitrile1074-63-13-(cyclopentylamino)propanenitrileDTXSID60374118RefChem:494760DTXCID00325149673-978-5MFCD00060286SCHEMBL2751529N-(2-cyanoethyl)cyclopentylamineYHGZCPAPXDXHCY-UHFFFAOYSA-NCS1044

Show more names

Propanenitrile, 3-(cyclopentylamino)-

AKOS005188296AC-31850BS-42386DB-021706CS-0318841F018483

Database identifiers

CAS: 1074-63-1
PubChem CID: 2758002
DTXSID: DTXSID60374118
EC Number: 673-978-5

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 115 · 115-116°C 7mm
Density: 0 · 0,95 g/cm3
storage temp.: 2 · 2-8°C
pka: 8 · 8+-.0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 305 · P305+P351+P338-P405-P261-P280-P304+P340
Risk Statements: 20 · 20/21/22
Safety Statements: 26 · 26-36/37/39
RIDADR: 3276 · 3276
HS Code: 2922390090 · 2922390090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 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.