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CAS 1189884-47-6 Tyramine-d4 Hydrochloride molecular structure lightbox
CAS RN: 1189884-47-6

Tyramine-d4 Hydrochloride

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Batchno.20250408 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189884-47-6
  • Purity/Analytical Methods: >99.0%
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1189884-47-6 / 4-(2-amino-1,1,2,2-tetradeuterioethyl)phenol;hydrochloride

Tyramine hydrochloride | 4-(2-Aminoethyl)phenol hydrochloride | 4-Hydroxyphenethylamine hydrochloride

Standard CAS: 1189884-47-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1189884-47-6
Multi CAS
Yes
Molecular Formula
C8H12ClNO
Molecular Weight
177.660000
Exact Mass
177.085849
SMILES
[2H]C([2H])(C1=CC=C(C=C1)O)C([2H])([2H])N.Cl
InChI
InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H/i5D2,6D2;
InChIKey
RNISDHSYKZAWOK-NXMSQKFDSA-N
Synonyms
Tyramine hydrochloride 4-(2-Aminoethyl)phenol hydrochloride 4-Hydroxyphenethylamine hydrochloride Tyramine HCL Tyrosamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.11
TPSA
46.25

LogP / Solubility

WLOGP
1.32
MLOGP
1.15
XLogP3
1.32
Consensus LogP
1.26
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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