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CAS 114133-37-8 (s)-3-(methylamino)-1-phenylpropanol (114133-37-8) molecular structure lightbox
CAS RN: 114133-37-8

(s)-3-(methylamino)-1-phenylpropanol (114133-37-8)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014008
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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: 0.25g
  • 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 114133-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

114133-37-8 / (1S)-3-(methylamino)-1-phenylpropan-1-ol

3-Hydroxy-N-methyl-3-phenylpropylamine | 3-METHYLAMINO-1-PHENYLPROPANOL | 3-(methylamino)-1-phenyl-1-propanol

Standard CAS: 114133-37-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114133-37-8
Multi CAS
Yes
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
SMILES
CNCC[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-/m0/s1
InChIKey
XXSDCGNHLFVSET-JTQLQIEISA-N
Synonyms
3-Hydroxy-N-methyl-3-phenylpropylamine 3-METHYLAMINO-1-PHENYLPROPANOL 3-(methylamino)-1-phenyl-1-propanol EINECS 255-679-8 I28ND993BO

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.95
TPSA
32.26

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.32
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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