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Geometry for C3H10N2 (1,2-Diaminopropane) 1A C1

1910171554
InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 INChIKey=AOHJOMMDDJHIJH-UHFFFAOYSA-N

B3LYP_cp/6-31G*


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
N1 0.4843 1.3904 -0.2219
H2 -0.2992 1.9201 0.1575
H3 1.3233 1.8818 0.0841
N4 -2.0617 -0.1345 0.0254
H5 -2.1343 0.7521 -0.4699
H6 -2.1947 0.0631 1.0168
C7 -0.7457 -0.7326 -0.2092
H8 -0.7504 -1.7421 0.2228
H9 -0.6243 -0.8438 -1.2936
C10 1.7744 -0.6792 -0.0328
H11 1.7775 -1.7109 0.3366
H12 1.8969 -0.6972 -1.1216
H13 2.6456 -0.1694 0.3971
C14 0.4733 0.0316 0.3418
H15 0.3895 0.0361 1.4475
Atom - Atom Distances (Å)
  N1 H2 H3 N4 H5 H6 C7 H8 H9 C10 H11 H12 H13 C14 H15
N1 1.0191 1.0193 2.9780 2.7066 3.2363 2.4537 3.3963 2.7146 2.4461 3.4063 2.6764 2.7363 1.4711 2.1518
H2 1.0191 1.6246 2.7102 2.2639 2.7892 2.7150 3.6905 3.1385 3.3306 4.1868 3.6482 3.6188 2.0487 2.3850
H3 1.0193 1.6246 3.9405 3.6794 4.0687 3.3470 4.1776 3.6221 2.6031 3.6301 2.9041 2.4605 2.0523 2.4775
N4 2.9780 2.7102 3.9405 1.0182 1.0196 1.4644 2.0839 2.0757 3.8750 4.1618 4.1596 4.7221 2.5600 2.8390
H5 2.7066 2.2639 3.6794 1.0182 1.6397 2.0495 2.9353 2.3463 4.1854 4.6924 4.3330 4.9445 2.8244 3.2494
H6 3.2363 2.7892 4.0687 1.0196 1.6397 2.0581 2.4444 2.9371 4.1721 4.4032 4.6789 4.8853 2.7522 2.6200
C7 2.4537 2.7150 3.3470 1.4644 2.0495 2.0581 1.0980 1.0968 2.5268 2.7607 2.7959 3.4908 1.5406 2.1504
H8 3.3963 3.6905 4.1776 2.0839 2.9353 2.4444 1.0980 1.7670 2.7513 2.5306 3.1476 3.7465 2.1582 2.4416
H9 2.7146 3.1385 3.6221 2.0757 2.3463 2.9371 1.0968 1.7670 2.7148 3.0295 2.5312 3.7423 2.1553 3.0521
C10 2.4461 3.3306 2.6031 3.8750 4.1854 4.1721 2.5268 2.7513 2.7148 1.0958 1.0959 1.0972 1.5292 2.1496
H11 3.4063 4.1868 3.6301 4.1618 4.6924 4.4032 2.7607 2.5306 3.0295 1.0958 1.7800 1.7702 2.1766 2.4925
H12 2.6764 3.6482 2.9041 4.1596 4.3330 4.6789 2.7959 3.1476 2.5312 1.0959 1.7800 1.7737 2.1678 3.0677
H13 2.7363 3.6188 2.4605 4.7221 4.9445 4.8853 3.4908 3.7465 3.7423 1.0972 1.7702 1.7737 2.1823 2.4971
C14 1.4711 2.0487 2.0523 2.5600 2.8244 2.7522 1.5406 2.1582 2.1553 1.5292 2.1766 2.1678 2.1823 1.1089
H15 2.1518 2.3850 2.4775 2.8390 3.2494 2.6200 2.1504 2.4416 3.0521 2.1496 2.4925 3.0677 2.4971 1.1089
Maximum atom distance is 4.9445Å between atoms H5 and H13.
picture of 1,2-Diaminopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.