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CAS 16452-01-0 3-METHOXY-4-METHYLANILINE molecular structure lightbox
CAS RN: 16452-01-0

3-METHOXY-4-METHYLANILINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-071925
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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: 25g
  • Available purity: ＞97%
  • 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 16452-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

16452-01-0 / 3-methoxy-4-methylaniline

Standard CAS: 16452-01-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16452-01-0
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
SMILES
CC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
InChIKey
ONADZNBSLRAJFW-UHFFFAOYSA-N

Physical Properties

Melting Point
124 to 129 °F (NTP, 1992)
Boiling Point
482 to 486 °F at 760 mmHg (NTP, 1992)
Physical Description
O-cresidine is a brown chunky solid. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.14
TPSA
35.25

LogP / Solubility

WLOGP
1.59
MLOGP
1.39
XLogP3
2.1
Consensus LogP
1.69
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (11.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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