CAS RN: 1477-55-0
m-Xylylenediamine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260508 | 25ml / 100ml / 500ml / 2.5L / 10L / 25L / 12X500ml | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei, Chongqing | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260103 | 5ml | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: ICTD0127
- Purity/Analytical Methods: >99.0%(GC)
1477-55-0 / [3-(aminomethyl)phenyl]methanamine
Basic Information
CAS
1477-55-0
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
C1=CC(=CC(=C1)CN)CN
InChI
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N
Physical Properties
Melting Point
58 °F (NIOSH, 2024)
14.1 °C
58 °F
Boiling Point
477 °F at 760 mmHg (NIOSH, 2024)
247 °C
273 °C
477 °F
Density
1.032 (NIOSH, 2024) - Denser than water; will sink
Relative density (water = 1): 1.05
1.032
Physical Description
M-xylene-alpha,alpha'-diamine is a colorless liquid with an amine smell. Mp: 14.1 °C; bp: 273 °C. Water soluble.
Liquid
Colorless liquid; [NIOSH]
COLOURLESS LIQUID.
Colorless liquid with an amine-like odor.
Appearance
COLORLESS LIQ
Colorless liquid.
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.22
TPSA
52.04
LogP / Solubility
WLOGP
0.6
MLOGP
0.52
XLogP3
-0.3
Consensus LogP
0.27
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (18.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (99.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (26.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501
Hazard Class/Division
8
Packing Group
II
