4-Nonylphenol-d5

CAT: 0931-TMID-0181-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TMID-0181-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

358730-95-7

Target

Estrogen Receptor/ERR

Related Pathways

Endocrinology/Hormones

Purity

0.9886

Bioactivity

4-Nonylphenol-d5 is a deuterated label of 4-n-nonylphenol for isotope tracing. 4-n-Nonylphenol is the primary degradation product of nonylphenol ethoxylates (NPEOs), exhibiting endocrine-disrupting properties and weak estrogenic activity.

Smiles

C(CCCCCCCC)C1=C(C(=C(O[2H])C(=C1[2H])[2H])[2H])[2H]

Molecular Formula

C15H19D5O

Molecular Weight

225.38

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-N-Nonylphenol-2,3,5,6-D4,OD

CAS Number	358730-95-7
PubChem CID	90472216
IUPAC Name	1,2,4,5-tetradeuterio-3-deuteriooxy-6-nonylbenzene
Molecular Formula	C15H24O
Molecular Weight	225.38
XLogP	5.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Heavy Atom Count	16
Formal Charge	0
Complexity	148

SMILES

[2H]C1=C(C(=C(C(=C1CCCCCCCCC)[2H])[2H])O[2H])[2H]

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3/i10D,11D,12D,13D/hD

InChIKey

IGFHQQFPSIBGKE-VQUAKUOWSA-N

Chemical Structure

2D Structure

CAS: 358730-95-7

CID: 90472216

Formula: C15H24O

MW: 225.38

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	225.38
XLogP3	5.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	225.214099115
Monoisotopic Mass	225.214099115
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	148
Isotope Atom Count	5
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

Related Products

Catalog	Name
T0824-01	4-Nonylphenol polyethoxylate
TMID-0030-01	4-Bromophenoxybenzene-d5
TMIH-0360-01	N (4) -desoxychlordiazepoxide-d5
T19136-01	4-Hydroxyphenyl Carvedilol-d5
TMIJ-0416-01	Phenol-d5 (2,3,4,5,6-d5)
TMIJ-0123-01	Des-4-Fluorobenzyl Mosapride-d5
TMIH-0043-01	3,4-Dihydroxyphenylacetic Acid-d5
TMID-0250-01	2-hydroxy-4-methoxybenzophenone-d5
TMIJ-0480-01	Terbutryn-d5 (ethyl-d5)
TMIJ-0475-01	Terbuthylazine-d5 (ethyl-d5)

Alternative Products

Catalog	Name
HY-131122S-01	4-Nonylphenol-d5
RM-N641455-01	4-n-Nonylphenol-D5
sc-256816A	4-Nonylphenol
GTR19177547-01	4-Nonylphenol polyethoxylate
284982-01	4-N-Nonylphenol
S-5074-MECL	4-n-Nonylphenol - EACH
S-2795A	Nonylphenol
S-2795	Nonylphenol - 1ML
RG-A260650-01	Nonylphenol (Technical)
RM-N641457-01	Nonylphenol Impurity 7

4-Nonylphenol-d5

Chemical Information

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