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CAS 1007211-91-7 2-methyl-5-(morpholin-4-yl)aniline molecular structure lightbox
CAS RN: 1007211-91-7

2-methyl-5-(morpholin-4-yl)aniline

  • Product code: SSC-001405
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1007211-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry

1007211-91-7 / 2-methyl-5-morpholin-4-ylaniline

2-Methyl-5-morpholinoaniline | 2-methyl-5-(morpholin-4-yl)aniline | MFCD11935300

Standard CAS: 1007211-91-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1007211-91-7
Multi CAS
No
Molecular Formula
C11H16N2O
Molecular Weight
192.260000
Exact Mass
192.126263
SMILES
CC1=C(C=C(C=C1)N2CCOCC2)N
InChI
InChI=1S/C11H16N2O/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey
IUAGWHGZKMGPOR-UHFFFAOYSA-N
Synonyms
2-Methyl-5-morpholinoaniline 2-methyl-5-(morpholin-4-yl)aniline MFCD11935300 2-methyl-5-morpholin-4-ylaniline 2-Methyl-5-morpholin-4-yl-phenylamine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.62
TPSA
38.49

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
0.6
Consensus LogP
1.08
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.89

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

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