[email protected]
CAS 101-61-1 Bis[4-(dimethylamino)phenyl]methane molecular structure lightbox
CAS RN: 101-61-1

Bis[4-(dimethylamino)phenyl]methane

  • Product code: SSC-001824
GET A QUOTE
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: 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 101-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 4 In Stock Shenzhen Inquiry
100g >97% 4 In Stock Hong Kong Inquiry

101-61-1 / 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4,4'-Methylenebis(N,N-dimethylaniline) | Michler's base | Methane base

Standard CAS: 101-61-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-61-1
Multi CAS
Yes
Molecular Formula
C17H22N2
Molecular Weight
254.370000
Exact Mass
254.178299
SMILES
CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
InChIKey
JNRLEMMIVRBKJE-UHFFFAOYSA-N
Synonyms
4,4'-Methylenebis(N,N-dimethylaniline) Michler's base Methane base Bis[4-(dimethylamino)phenyl]methane Michler's hydride

Physical Properties

Melting Point
194 to 196 °F (NTP, 1992) 91.5 °C
Boiling Point
734 °F at 760 mmHg (NTP, 1992) 390 °C decomposes BP: 155-157 °C at 0.1 mm Hg BP: 183 °C at 3 mm Hg
Density
1.14 at 68 °F (NTP, 1992) - Denser than water; will sink
Physical Description
Yellowish glistening leaflets or plates or tan crystals. Weak odor. Sublimes without decomposition. (NTP, 1992) Yellowish solid; [Hawley] Crystalline powder
Appearance
Lustrous leaflets Yellowish leaflets or glistening plates Platelets or tablets from alcohol, ligand
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and keep it away from oxidizing materials and acids. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
84.34
TPSA
6.48

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H350 (100%): May cause cancer [Danger Carcinogenicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H350: May cause cancer [Danger Carcinogenicity] H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P203, P260, P280, P318, P319, P405, and P501 P203, P280, P301+P317, P318, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us