N-(1,1-Dimethylethyl)-1,3-propanediamine

HCID 40274CAS 52198-64-8
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Basic information

Standard SMILES
CC(C)(C)NCCCN
InChIKey
NPMAKXHZQFPWHU-UHFFFAOYSA-N
Molecular formula
C7H18N2
Average molar mass
130.23 g/mol
Monoisotopic mass
130.14699858

Names & identifiers

Preferred name
N-(1,1-Dimethylethyl)-1,3-propanediamine
IUPAC
N'-tert-butylpropane-1,3-diamine
English name
N1-tert-butylpropane-1,3-diaMine
Molecular formula
C7H18N2
Molecular weight
130.23

Names & synonyms

52198-64-8(3-aminopropyl)(tert-butyl)amineN-(1,1-DIMETHYLETHYL)-1,3-PROPANEDIAMINEN'-tert-butylpropane-1,3-diamineN1-(TERT-BUTYL)PROPANE-1,3-DIAMINE3-TERT-BUTYLAMINOPROPYLAMINEN1-tert-butylpropane-1,3-diaMine3-(t-butylamino)propylamineSCHEMBL989774SCHEMBL2721571DTXSID00200225NPMAKXHZQFPWHU-UHFFFAOYSA-N
Show more names
N-tert-butylpropylenediamineN1-(tert-Butyl)-propane-1,3-diamine 2HClN1-(1,1-dimethylethyl)-1,3-Propanediamine1,3-Propanediamine, N1-(1,1-dimethylethyl)-
N-tert-butyl propane 1,3 diamineCCA19864N~1~-tert-Butylpropane-1,3-diamineAKOS005289682AT13995N1-(tert-Butyl)-propane-1,3-diamine(3-aminopropyl)(1,1-dimethylethyl)amineN-(1,1dimethylethyl)-1,3-propanediamine

Database identifiers

CAS
52198-64-8
PubChem CID
40274
DTXSID
DTXSID00200225
Nikkaji
J802.189I

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
9

Physicochemical properties

Boiling point
170 °C · 170 °C
Density
0.831 · 0.831±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
10.604 · 10.604±0.38(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers7 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
泰州申合泰尔生物医药有限公司0523-86819336; 13357797105 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]

Related reactions

15 records
New reaction record

Linked notes

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