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CAS 117888-79-6 (R)-2-AMino-3-(4-hydroxyphenyl)propanaMide hydrochloride molecular structure lightbox
CAS RN: 117888-79-6

(R)-2-AMino-3-(4-hydroxyphenyl)propanaMide hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 10mg Out of stock 15 business days Inquiry
  • Product code: SSC-017713
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117888-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117888-79-6 / (2R)-2-amino-3-(4-hydroxyphenyl)propanamide;hydrochloride

H-D-Tyr-NH2.HCl | H-Tyr-NH HCl | 2-amino-3-(4-hydroxyphenyl)propanamide hydrochloride

Standard CAS: 117888-79-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117888-79-6
Multi CAS
Yes
Molecular Formula
C9H13ClN2O2
Molecular Weight
216.660000
Exact Mass
216.066555
SMILES
C1=CC(=CC=C1C[C@H](C(=O)N)N)O.Cl
InChI
InChI=1S/C9H12N2O2.ClH/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;/h1-4,8,12H,5,10H2,(H2,11,13);1H/t8-;/m1./s1
InChIKey
YDIMJFKFXYQUBZ-DDWIOCJRSA-N
Synonyms
H-D-Tyr-NH2.HCl H-Tyr-NH HCl 2-amino-3-(4-hydroxyphenyl)propanamide hydrochloride SCHEMBL6693119 SEA88879

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.23
TPSA
89.34

LogP / Solubility

WLOGP
0.17
MLOGP
0.15
XLogP3
0.17
Consensus LogP
0.16
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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