Basic information
- CAS
60451-92-5- Standard SMILES
O=C(O)CCCCCCCCCCCCCCCCI- InChIKey
UBQLJCFBCITRNR-UHFFFAOYSA-N- Molecular formula
- C17H33IO2
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 396.15253
Overview
RN given refers to (123)I-labeled cpd; RN for unlabeled cpd not in Chemline 7/84
Names & identifiers
- Preferred name
- 17-Iodoheptadecanoic acid
- IUPAC
- 17-iodoheptadecanoic acid
- English name
- 17-IODOHEPTADECANOIC ACID
- Molecular formula
- C17H33IO2
- Molecular weight
- 396.35
Names & synonyms
17-iodoheptadecanoic acidIodoheptadecanoic acidDTXSID30975858Heptadecanoic-17-(131)I acidRefChem:79224DTXCID10140325063556-27-460451-92-517-iodoheptadecanoicacid17-iodo-heptadecanecarboxylic acidMFCD00040783Heptadecanoic acid,17-iodo-
Show more names
IHA17-Iodheptadecanoicacid18-iodooctadecanoic acidHeptadecanoic acid, 17-iodo-17-Iodoheptadecanoic acid, tech17-lodoheptadecanoic acid (IHA)
C17H33IO217-IODO-HEPTADECANECARBOXYLIC ACID (IHA)SCHEMBL290324DB-215958CS-0454058A10390
Database identifiers
- CAS
60451-92-5- PubChem CID
- 2736656
- DTXSID
DTXSID30975858
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 82 · 82-84°C
- form
- solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2915907098 · 2915907098
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
- hs_code
- 2915907098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers6 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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