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CAS 103-14-0 4-(BENZYLAMINO)PHENOL molecular structure lightbox
CAS RN: 103-14-0

4-(BENZYLAMINO)PHENOL

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250613 1g In stock Inquiry
Batchno.20251115 250mg In stock Inquiry
  • Product code: starshine_CAS103-14-0
  • Purity/Analytical Methods: >99.0%
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103-14-0 / 4-(benzylamino)phenol

4-(Benzylamino)phenol | Phenol, 4-[(phenylmethyl)amino]- | p-benzylaminophenol

Standard CAS: 103-14-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103-14-0
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)O
InChI
InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKey
SRYYOKKLTBRLHT-UHFFFAOYSA-N
Synonyms
4-(Benzylamino)phenol Phenol, 4-[(phenylmethyl)amino]- p-benzylaminophenol p-(Benzylamino)phenol 4-[(Phenylmethyl)amino]phenol

Physical Properties

Physical Description
Brown solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.88
TPSA
32.26

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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