3-Aminopentanenitrile

HCID 93451
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Basic information

CAS
75405-06-0
Standard SMILES
CCC(N)CC#N
InChIKey
FVPPLRDSFQDFLX-UHFFFAOYSA-N
Molecular formula
C5H10N2
Average molar mass
98.15 g/mol
Monoisotopic mass
98.08439832

Names & identifiers

Preferred name
3-Aminopentanenitrile
IUPAC
3-aminopentanenitrile
English name
3-AMINOPENTANENITRILE
Molecular formula
C5H10N2
Molecular weight
98.15

Names & synonyms

3-aminopentanenitrile75405-06-0Pentanenitrile, 3-amino-3-AminopenanenitrileUNII-240Y1KRT4D240Y1KRT4DDTXSID7043904(RS)-3-AMINOPENTANE NITRILE3-AMINOPENTANENITRILE, (RS)-RefChem:92983DTXCID50239043-AMINOPENTANENITRILE, (+-)-
Show more names
3-aminopentanenitrile HCl
616-219-53-Amino-pentanenitrileSCHEMBL811225MFCD02101363AKOS009387248AT46923SB446643-AMINOPENTANENITRILE, (+/-)-

Database identifiers

CAS
75405-06-0
PubChem CID
93451
DTXSID
DTXSID7043904
UNII
240Y1KRT4D
EC Number
616-219-5
Nikkaji
J1.537.334B

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Boiling point
90 °C · 90 °C
Density
0.904 · 0.904±0.06 g/cm3(Predicted)
pka
7.24 · 7.24±0.10(Predicted)
FDA UNII
240 Y1KRT4D · 240Y1KRT4D
EPA Substance Registry System
3 · Pentanenitrile, 3-amino- (75405-06-0)
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPentanenitrile, 3-amino-: ACTIVE

Suppliers8 total

砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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