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81403-69-2 molecular structure
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2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine hydrochloride

ChemBase ID: 160028
Molecular Formular: C14H22ClN5O2
Molecular Mass: 327.80978
Monoisotopic Mass: 327.14620265
SMILES and InChIs

SMILES:
c1c(c(cc2c1nc(nc2N)N(CCCN)C)OC)OC.Cl
Canonical SMILES:
NCCCN(c1nc2cc(OC)c(cc2c(n1)N)OC)C.Cl
InChI:
InChI=1S/C14H21N5O2.ClH/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14;/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18);1H
InChIKey:
BGUCQCSXICEECZ-UHFFFAOYSA-N

Cite this record

CBID:160028 http://www.chembase.cn/molecule-160028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine hydrochloride
IUPAC Traditional name
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine hydrochloride
Synonyms
N2-(3-Aminopropyl)-6,7-dimethoxy-N2-methyl-2,4-quinazolinediamine Hydrochloride
N-(4-Amino-6,7-dimethoxyquinazol-2-yl)-N-methylpropylenediamine Hydrochloride
CAS Number
81403-69-2
PubChem SID
162254163
PubChem CID
44473615

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A604970 external link Add to cart
PubChem 44473615 external link
Data Source Data ID Price
TRC
A604970 external link Add to cart Please log in.
Data Source Data ID
PubChem 44473615 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.621691  LogD (pH = 7.4) -1.6502236 
Log P 0.9250574  Molar Refractivity 83.9306 cm3
Polarizability 32.240543 Å3 Polar Surface Area 99.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
270°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A604970 external link
Intermediate in the preparation of antihypertensive agents, such as alfuzosin (A532000).

REFERENCES

REFERENCES

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  • • Manoury, P., et al.: J. Med. Chem., 29, 19 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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