Home > Compound List > Compound details
127729-35-5 molecular structure
click picture or here to close

(3-aminopropyl)(methyl)phosphinic acid

ChemBase ID: 129491
Molecular Formular: C4H12NO2P
Molecular Mass: 137.117341
Monoisotopic Mass: 137.06056526
SMILES and InChIs

SMILES:
CP(=O)(CCCN)O
Canonical SMILES:
NCCCP(=O)(O)C
InChI:
InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKey:
NHVRIDDXGZPJTJ-UHFFFAOYSA-N

Cite this record

CBID:129491 http://www.chembase.cn/molecule-129491.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-aminopropyl)(methyl)phosphinic acid
IUPAC Traditional name
3-aminopropyl(methyl)phosphinic acid
Synonyms
SKF-97,541
CAS Number
127729-35-5
PubChem SID
162223784
PubChem CID
5230
Wikipedia Title
SKF-97,541

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9878153  H Acceptors
H Donor LogD (pH = 5.5) -3.1173143 
LogD (pH = 7.4) -3.117776  Log P -3.11724 
Molar Refractivity 33.8311 cm3 Polarizability 13.400271 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle