(3-Phenoxypropyl)amine

HCID 418237
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
7617-76-7
Standard SMILES
NCCCOc1ccccc1
InChIKey
DXVQSHRBALIFBC-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol
Monoisotopic mass
151.09971404

Names & identifiers

Preferred name
(3-Phenoxypropyl)amine
IUPAC
3-phenoxypropan-1-amine
English name
3-phenoxy-1-propanamine
Molecular formula
C9H13NO
Molecular weight
151.21

Names & synonyms

(3-phenoxypropyl)amineRefChem:400497679-186-63-phenoxypropan-1-amine7617-76-73-phenoxy-1-propanamine3-Phenoxy-propylamine3-phenoxypropylamine1-Propanamine, 3-phenoxy-(3-Phenoxy)propylamineMFCD04038049phenoxypropylamine
Show more names
p80255AKOS BC-0465CHEMBRDG-BB 4018151RARECHEM AL BW 2165(3-phenoxypropyl)amine 1HCl(3-phenoxypropyl)amine(SALTDATA: HCl)
SCHEMBL1320595SCHEMBL1493196SCHEMBL2030275SCHEMBL2182069SCHEMBL4065850SCHEMBL4424658SCHEMBL4793877SCHEMBL11860599

Database identifiers

CAS
7617-76-7
PubChem CID
418237
DTXSID
DTXSID30329190
EC Number
679-186-6
Nikkaji
J1.362.150K

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Boiling point
110 · 110-112 °C(Press: 3 Torr)
Density
1.007 · 1.007±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
9.42 · 9.42±0.10(Predicted)
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
5 · GHS05,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS05,GHS07
Hazard statements
H302-H315-H318-H335
Precautionary statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications

Uses3-phenoxy-1-propanamine can be used as a pharmaceutical intermediate for the development of monoamine transporter protein ligands, among others.

Suppliers36 total

南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

Loading…