Basic information
- CAS
89520-13-8- Standard SMILES
O=C(O)CCCCCNC(=O)CBr- InChIKey
KBHDOOBTWNNNEX-UHFFFAOYSA-N- Molecular formula
- C8H14BrNO3
- Average molar mass
- 252.11 g/mol
- Monoisotopic mass
- 251.01571
Names & identifiers
- Preferred name
- 6-(2-Bromoacetamido)hexanoic acid
- IUPAC
- 6-[(2-bromoacetyl)amino]hexanoic acid
- English name
- Hexanoic acid, 6-[(2-bromoacetyl)amino]-
- Molecular formula
- C8H14BrNO3
- Molecular weight
- 252.11
Names & synonyms
6-(2-BROMOACETAMIDO)HEXANOIC ACID89520-13-8Hexanoic acid, 6-[(bromoacetyl)amino]-MFCD30468759SCHEMBL3267882SCHEMBL7754877DTXSID60601476KBHDOOBTWNNNEX-UHFFFAOYSA-N6-[(bromoacetyl)amino]hexanoic acidDB-100459Hexanoic acid, 6-[(2-bromoacetyl)amino]-G72210
Database identifiers
- CAS
89520-13-8- PubChem CID
- 19959633
- DTXSID
DTXSID60601476
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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