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Basic information
- CAS
127729-35-5- Standard SMILES
CP(=O)(O)CCCN- InChIKey
NHVRIDDXGZPJTJ-UHFFFAOYSA-N- Molecular formula
- C4H12NO2P
- Average molar mass
- 137.12 g/mol
- Monoisotopic mass
- 137.06056525
Overview
3-aminopropyl(methyl)phosphinic acid is a GABA agonist.
Names & identifiers
- Preferred name
- (3-Aminopropyl)methylphosphinic acid
- IUPAC
- 3-aminopropyl(methyl)phosphinic acid
- English name
- 3-Aminopropyl(methyl)phosphinic acid HCl
- Molecular formula
- C4H13ClNO2P
- Molecular weight
- 173.58
Names & synonyms
127729-35-53-aminopropyl(methyl)phosphinic Acidskf-97541(3-aminopropyl)methylphosphinic acidDTXSID80925969SKF97541RefChem:497776DTXCID401354789802-793-63-ApmpaSKF 97541SK&F 97541
Show more names
CGP-35024CGP 35024 HCLSK AND F 97541SKF 97541, Highly GABAB agonistPhosphinic acid, (3-aminopropyl)methyl-3-AMINOPROPYL-(METHYL)PHOSPHINIC ACID H&P-(3-aminopropyl)-P-methyl-phosphinicaci
(3-aminopropyl)(methyl)phosphinic acidCGP 35024CGP35024CHEMBL112710SKF 97541 hydrochloride(R)-(3-aminopropyl)methylphosphinic acidSKF-97541;SKF97541;CGP 35024;CGP-35024;CGP35024(3-(Aminopropyl)methyl)phosphinic acid
Database identifiers
- CAS
127729-35-5- PubChem CID
- 5230
- DTXSID
DTXSID80925969- ChEMBL
CHEMBL112710
Properties
Computed structural propertiesFilling in
- XLogP
- -4
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- storage temp.
- Desiccate at RT
- solubility
- 2 O: · H2O: soluble
- form
- solid
- color
- white
- Water Solubility
- Soluble in water (100mM)
- InChI
- 1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)/p+1
- InChIKey
- NHVRIDDXGZPJTJ-UHFFFAOYSA-O
- SMILES
- [P](=O)(O)(CCC[N+H3])C
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information(3-(Aminopropyl)methyl)phosphinic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesSKF-97541 acts as a highly potent agonist of GABAB receptors. Shown to display sedative effects in mammals and may be used in the treatment of various addictions due to neurochemical imbalances.
Suppliers9 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Ascent Scientific4401179829988 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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