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3-(1H-imidazol-1-yl)propanehydrazide

HCID 960593
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1190617-85-6
Standard SMILES
NNC(=O)CCn1ccnc1
InChIKey
QNLSZBNWUHUATF-UHFFFAOYSA-N
Molecular formula
C6H10N4O
Average molar mass
154.17 g/mol
Monoisotopic mass
154.08546096

Names & identifiers

Preferred name
3-(1H-imidazol-1-yl)propanehydrazide
IUPAC
3-imidazol-1-ylpropanehydrazide
English name
1H-Imidazole-1-propanoic acid, hydrazide
Molecular formula
C6H10N4O
Molecular weight
154.17

Names & synonyms

3-(1H-imidazol-1-yl)propanehydrazide1190617-85-6RefChem:489759995-201-13-imidazol-1-ylpropanehydrazide3-(1H-Imidazol-1-yl)propanohydrazideSCHEMBL4415625ALBB-032116QXB61785MFCD045609943-(1h-imidazol-1-yl)propiohydrazideAKOS008968307
Show more names
1H-Imidazole-1-propanoic acid, hydrazide
LS-11822H46153EN300-1250335

Database identifiers

CAS
1190617-85-6
PubChem CID
960593
EC Number
995-201-1

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
72.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
139

Physicochemical properties

Boiling point
482.3 · 482.3±28.0 °C(Predicted)
Density
1.34 · 1.34±0.1 g/cm3(Predicted)
pka
12.99 · 12.99±0.35(Predicted)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Suppliers1 total

宝欧信特生物科技(苏州)有限公司51288865780 · [email protected]

Related reactions

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Compound notes

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