Research chemical
Butanenitrile, 3-imino-
CAS Number: 1118-60-1
Product details
Identity & specification
- Molecular formula
- C4H6N2
- Molecular weight
- 82.1 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
70698
Exact Mass
82.053098
InChIKey
CSIFGMFVGDBOQC-UHFFFAOYSA-N
IUPAC Name
3-iminobutanenitrile
SMILES String
CC(=N)CC#N
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
1
Ring count
0
Aromatic rings
0
Topological polar surface area
47.64 Ų
Computed LogP
0.94
Fragment-like structure rule
Yes
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Butanenitrile, 3-imino- (CAS 1118-60-1) is maintained as a cataloged research chemical with formula C4H6N2, molecular weight 82. 10 g/mol, PubChem CID 70698.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include fragment-like structure profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Butanenitrile, 3-imino- (CAS 1118-60-1)?
Butanenitrile, 3-imino- is identified by CAS 1118-60-1, with molecular formula C4H6N2, molecular weight 82.1, InChIKey CSIFGMFVGDBOQC-UHFFFAOYSA-N.
Can I request a COA for CAS 1118-60-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Butanenitrile, 3-imino-?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1118-60-1 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.