1-Amino-3-(4-methoxyphenoxy)propan-2-ol

HCID 2735360
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Basic information

CAS
5002-93-7
Standard SMILES
COc1ccc(OCC(O)CN)cc1
InChIKey
KFQPRNVTVMCYEH-UHFFFAOYSA-N
Molecular formula
C10H15NO3
Average molar mass
197.23 g/mol
Monoisotopic mass
197.10519334

Names & identifiers

Preferred name
1-Amino-3-(4-methoxyphenoxy)propan-2-ol
IUPAC
1-amino-3-(4-methoxyphenoxy)propan-2-ol
English name
1-Amino-3-(4-methoxyphenoxy)propan-2-ol
Molecular formula
C10H15NO3
Molecular weight
197.23

Names & synonyms

1-amino-3-(4-methoxyphenoxy)propan-2-ol5002-93-7MFCD002056934-(3-Amino-2-hydroxypropoxy)anisole3-amino-1-(4-methoxyphenoxy)propan-2-ol1-Amino-3-(4-methoxyphenoxy)-2-propanol; 3-Amino-1-(4-methoxyphenoxy)propan-2-olMaybridge1_0021991-Amino-3-(4-methoxy-phenoxy)-propan-2-olOprea1_351577Oprea1_368403SCHEMBL4944194SCHEMBL11101101
Show more names
2-Propanol, 1-amino-3-(4-methoxyphenoxy)-1-Amino-3-(4-methoxyphenoxy)propan-2-ol, 95+%
HMS547L21DTXSID20370691KFQPRNVTVMCYEH-UHFFFAOYSA-NFAA00293BBL028388SBB055361STL146371AKOS000149681

Database identifiers

CAS
5002-93-7
PubChem CID
2735360
DTXSID
DTXSID20370691

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
64.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Melting point
110 · 110-112
solubility
DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
form
powder
color
White
Symbol(GHS)
5 · GHS05
Signal word
Danger

Safety & regulation

Safety data

hs_code
2909498090
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H314

Chemistry & industry

Suppliers13 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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