2-Methyl-2-phenylpropan-1-amine

HCID 210602
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Basic information

CAS
21404-88-6
Standard SMILES
CC(C)(CN)c1ccccc1
InChIKey
CWSGTPMVOJFVIF-UHFFFAOYSA-N
Molecular formula
C10H15N
Average molar mass
149.23 g/mol
Monoisotopic mass
149.12044948

Names & identifiers

Preferred name
2-Methyl-2-phenylpropan-1-amine
IUPAC
2-methyl-2-phenylpropan-1-amine
English name
2-methyl-2-phenylpropan-1-amine
Molecular formula
C10H15N
Molecular weight
149.23

Names & synonyms

2-methyl-2-phenylpropan-1-amineDTXSID70276876RefChem:475191DTXCID00201676808-669-821404-88-62-methyl-2-phenyl-propylamine2-Methyl-2-phenylpropylamine2-METHYL-2-PHENYLPROPANEAMINEMFCD06213339CHEMBL5051101-Amino-2-methyl-2-phenylpropane
Show more names
beta,beta-DimethylphenethylamineBenzeneethanamine, β,β-dimethyl-2-Methyl-2-phenylpropan-1-amine HCl
NSC28722SCHEMBL323323SCHEMBL3596575SCHEMBL3596579SCHEMBL5762552SCHEMBL86142732-methyl-2-phenyl-1-propanamine2-methyl-2-phenyl-propan-1-amine

Database identifiers

CAS
21404-88-6
PubChem CID
210602
DTXSID
DTXSID70276876
ChEMBL
CHEMBL505110
EC Number
808-669-8
Nikkaji
J486.548K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Collision Cross Section186.3 Ų [M+H]+

Physicochemical properties

Boiling point
115 · 115-116 °C
Density
0.9495 g/cm3 · 0.9495 g/cm3
storage temp.
2 · 2-8°C, protect from light
pka
9.98 · 9.98±0.10(Predicted)
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
5 · GHS05,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

hs_code
2921490090
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_class
IRRITANT
Hazard statements
H302-H314-H318
Precautionary statements
P271-P280-P405

Chemistry & industry

Suppliers34 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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