1,3-Bis (3-hydroxypropyl) urea

CAT: 0926-WCA46611Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-WCA46611Size:2.5 g

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CAS Number

71466-11-0

MDL Number

MFCD01676845

Smiles

C (CNC (=O) NCCCO) CO

Molecular Formula

C7H16N2O3

Molecular Weight

176.21 g/mol

Controlled

Chemical Information

1,3-Bis(3-hydroxypropyl)urea

CAS Number	71466-11-0
PubChem CID	11658371
IUPAC Name	1,3-bis(3-hydroxypropyl)urea
Molecular Formula	C7H16N2O3
Molecular Weight	176.21
XLogP	-1.3
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	107

SMILES

C(CNC(=O)NCCCO)CO

InChI

InChI=1S/C7H16N2O3/c10-5-1-3-8-7(12)9-4-2-6-11/h10-11H,1-6H2,(H2,8,9,12)

InChIKey

HUEPEXWUAVEESY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71466-11-0

CID: 11658371

Formula: C7H16N2O3

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	-1.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	176.11609238
Monoisotopic Mass	176.11609238
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZHA10680-01	1-Ethyl-3- (3-hydroxypropyl) urea
FB176895-01	1,3-Bis (methoxymethyl) urea
FAA46784-01	1,3-Bis (2-phenylethyl) urea
FB61335-01	1,3-Bis (4-fluorophenyl) urea
FB61334-01	1,3-Bis (4-chlorophenyl) urea
YAA27055-01	3,3-Bis (2-hydroxyethyl) urea
ZCA76358-01	1,3-Bis (6-methoxypyridin-3-yl) urea
WDA55132-01	1,3-Bis[2- (methylsulfanyl) ethyl]urea
AAA62269-01	1,3-Bis[ (4-nitrophenyl) amino]urea
FB90218	1,3-Bis[4-chloro-3- (trifluoromethyl) phenyl]urea

Catalog	Name
OR1052167-01	1,3-Bis (3-hydroxypropyl) urea
sc-287239	1,3-Bis (3-boronophenyl) urea
OR1044134-01	1,3-Bis (trimethylsilyl) urea
TRC-B535405-250MG	1,3-Bis(trimethylsilyl)urea
PC3986	1,3-Bis (pentafluorophenyl) urea
OR1046764-01	1,3-Bis (1-methylcyclopropyl) urea
PC105047-01	1,3-Bis[3,5-Bis (Trifluoromethyl) Phenyl]Urea
OR11101-01	1,3-Bis (3,4-dichlorophenyl) urea
PC1015322-01	1,3-bis (3,4-difluorophenyl) urea
PC1003680	1,3-Bis (3- (trifluoromethyl) phenyl) urea