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N-(3-Hydroxypropyl) 4-hydroxy-2-nitroaniline

CAT: 0572-TRC-H961865-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-H961865-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92952-81-3
Synonyms
4-[(3-Hydroxypropyl)amino]-3-nitrophenol; HC Red BN; Jarocol Red BN; TM Red 2; Velsol Red BN
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OCCCNc1ccc(O)cc1[N+](=O)[O-]
Molecular Formula
C9H12N2O4
Molecular Weight
212.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Hydroxypropylamino-3-Nitrophenol
CAS Number92952-81-3
PubChem CID5463795
IUPAC Name4-(3-hydroxypropylamino)-3-nitrophenol
Molecular FormulaC9H12N2O4
Molecular Weight212.20
XLogP1.7
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])NCCCO
InChI
InChI=1S/C9H12N2O4/c12-5-1-4-10-8-3-2-7(13)6-9(8)11(14)15/h2-3,6,10,12-13H,1,4-5H2
InChIKey
VTXBLQLZQLHDIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxypropylamino-3-Nitrophenol
CAS: 92952-81-3
CID: 5463795
Formula: C9H12N2O4
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.07970687
Monoisotopic Mass212.07970687
Topological Polar Surface Area98.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
457100-01N- (3-Hydroxypropyl) 4-hydroxy-2-nitroaniline
456920-01N- (2-Hydroxyethyl) 4-hydroxy-2-nitroaniline
HWB06610-013-Hydroxy-N- (2-hydroxypropyl) benzamide
RVB93090-014-Hydroxy-N-[ (2S) -2-hydroxypropyl]benzamide
OR13236-013-Chloro-2-hydroxy-5-nitroaniline
AAA32278-01N- (4-Fluorophenyl) -2-nitroaniline
OR94288-01N- (4-Bromophenyl) -2-nitroaniline
FMA85122N- (4-methoxybenzyl) -3-nitroaniline
OR1051720-01N, N,2-Trimethyl-4-nitroaniline
PC1003803-013-Chloro-N- (4-fluorophenyl) -2-nitroaniline

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